1.8.1.12: trypanothione-disulfide reductase
This is an abbreviated version!
For detailed information about trypanothione-disulfide reductase, go to the full flat file.
Word Map on EC 1.8.1.12
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1.8.1.12
-
trypanosoma
-
leishmania
-
cruzi
-
chagas
-
trypanosomatids
-
leishmaniasis
-
brucei
-
trypanocidal
-
antileishmanial
-
donovani
-
promastigotes
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trypanosomiasis
-
infantum
-
amastigotes
-
fasciculata
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antitrypanosomal
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crithidia
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antiparasitic
-
flavoenzyme
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phenothiazine
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medicine
-
epimastigotes
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nifurtimox
-
amazonensis
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antiprotozoal
-
trypomastigotes
-
tryparedoxin
-
kinetoplastida
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leishmanicidal
-
congolense
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rhodesiense
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miltefosine
-
antimonial
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ts2
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n1,n8-bisglutathionylspermidine
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benznidazole
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clomipramine
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glutathionylspermidine
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antichagasic
-
thioridazine
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ovothiols
-
nitrofuran
-
trypanothione-dependent
-
pharmacology
- 1.8.1.12
- trypanosoma
- leishmania
- cruzi
- chagas
-
trypanosomatids
- leishmaniasis
- brucei
-
trypanocidal
-
antileishmanial
- donovani
- promastigotes
- trypanosomiasis
- infantum
- amastigotes
- fasciculata
-
antitrypanosomal
- crithidia
-
antiparasitic
-
flavoenzyme
- phenothiazine
- medicine
- epimastigotes
- nifurtimox
- amazonensis
-
antiprotozoal
- trypomastigotes
- tryparedoxin
- kinetoplastida
-
leishmanicidal
- congolense
- rhodesiense
- miltefosine
-
antimonial
- ts2
-
n1,n8-bisglutathionylspermidine
- benznidazole
- clomipramine
- glutathionylspermidine
-
antichagasic
- thioridazine
-
ovothiols
-
nitrofuran
-
trypanothione-dependent
- pharmacology
Reaction
Synonyms
EC 1.6.4.8, LbTryR, LdTryR, Li-TryR, LiTR, N(1),N(8)-bis(glutathionyl)spermidine reductase, NADPH2:trypanothione oxidoreductase, TbTR, TCDM_11669, TcTR, TPR, TR, trypanothione disulfide reductase, trypanothione reductase, trypanothione-disulfide reductase, TryR
ECTree
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Inhibitors
Inhibitors on EC 1.8.1.12 - trypanothione-disulfide reductase
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(1E)-1-(2-chlorophenyl)penta-1,4-dien-3-one
-
0.1 mM, irreversible inhibition
(1E)-1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone O-benzyloxime
-
(22R,25R)-solasodine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(22R,25S)-solanidine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(22S,25S)-tomatidine
-
compound is an alkaloid scaffold lead in the search for inhibitors
(2E)-3-(5-nitrofuran-2-yl)-N-tricyclo[3.3.1.13,7]dec-1-ylprop-2-enamide
-
-
(2Z)-2-[(2E)-2-(3H-indol-3-ylidene)ethylidene]-1-methyl-1,2-dihydroquinoline
-
-
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)(phenyl)-methanone
-
-
(4'-chloro-2,2':6',2''-terpyridine)platinum(II) ammine complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4-picoline) (4'-p-bromophenyl-2,2':6',2''-terpyridine)platinum(II) complex
-
irreversible, altering specifically the Cys52 residue in the active center, increased oxidase activity
(4E)-5-(2-chlorophenyl)-N,N,2,2-tetramethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, reversible inhibition
(4E)-5-(2-chlorophenyl)-N,N-dimethyl-3-oxopent-4-en-1-aminium chloride
-
0.1 mM, irreversible inhibition
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hex-3-enyl)-carbamic acid benzyl ester
-
-
(6-benzyloxycarbonylamino-6-[[[methyl-(2-propylamino-ethyl)-carbamoyl]-methyl]-carbamoyl]-1-[[(3-propylamino-propylcarbamoyl)-methyl]-carbamoyl]-hexyl)-carbamic acid benzyl ester
-
-
1,1'-(10-acetyl-10,10a-dihydro-4aH-phenothiazine-2,8-diyl)diethanone
-
1,1'-hexamethylenebis[5-(4-chlorophenyl)biguanide]
-
more than 90% inhibition at 0.1 mM
1,1'-[10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazine-2,8-diyl]diethanone
-
1,1'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(3-benzyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
-
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-methyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.1 mM
1,1'-[methanediylbis(oxyethane-2,1-diyl)]bis(3-phenyl-1,3-dihydro-2H-benzimidazol-2-imine)
-
IC50: 0.004 mM
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
1,6-dimethyl-3-(4-methylphenyl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
1-(1-methylpiperidin-3-yl)-3-(2-phenoxyethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.1 mM
1-(10-acetyl-10,10a-dihydro-4aH-phenothiazin-2-yl)-2-chloroethanone
-
1-(10-acetyl-2-chloro-10,10a-dihydro-4aH-phenothiazin-8-yl)ethanone
-
1-(1H-indol-5-yl)-N-[(4-methylpiperazin-1-yl)methyl]methanediamine
-
0.1 mM, 31% or 39% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(2,4-dichlorophenoxy)-3-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]propan-2-ol
-
IC50: 0.005 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.004 mM
1-(2-phenoxyethyl)-3-[2-(piperidin-1-yl)ethyl]-1,3-dihydro-2H-benzimidazol-2-imine
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.009 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.01 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
1-(3,4-dichlorophenyl)-3-[(4-ethylphenyl)amino]propan-1-one
-
containing two Cl groups and one NH-4-EtPh group
1-(3-bromothiophen-2-yl)-N-(pyridin-3-ylmethyl)methanediamine
-
0.1 mM, 15% or 14% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide, respectively
1-(3-phenoxypropyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.007 mM
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-(dimethyl-amino)ethanone
-
-
1-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-2-phenyl-ethanone
-
-
1-(4-(N-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-4-(dimethylamino)-2-(2-(naphthalen-2-yl)ethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamido)butyl)guanidinium 2,2,2-trifluoroacetate
-
-
1-(4-bromophenyl)-2-(3-butyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 42% inhibition at 0.025 mM
1-(4-chlorophenyl)-3-morpholin-4-ylpropan-1-one
-
containing one Cl group and one N-morpholinyl group
1-(4-ethoxyphenyl)-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanol
-
IC50: 0.1 mM, 6% inhibition at 0.025 mM
1-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-2-amine
-
1-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-2-amine
-
1-(5-phenoxypentyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-imine
-
IC50: 0.008 mM
1-(methylsulfanyl)-4-[3-(methylsulfanyl)-1,2,4-triazin-5-yl]-5,6,7,8-tetrahydroisoquinoline
-
-
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
1-biphenyl-4-yl-2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanone
-
IC50: 0.025 mM
1-ethyl-6-methyl-3-(pyridin-3-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-(thiophen-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
linear uncompetitive mode of inhibition
1-ethyl-6-methyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[(Z)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-ethyl-6-methyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
1-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]piperidinium chloride
-
0.1 mM, irreversible inhibition
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(3-phenyl-propyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-4-(E)-(3-phenyl-allyl)piperazine
-
-
1-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)ethyl]-piperazine
-
-
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-3-[2,6-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 8
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-tolyl-urea
-
ferrocenic 4-aminoquinoline urea compound 5
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-[2,4-bis-(trifluoromethyl)-phenyl]-urea
-
ferrocenic 4-aminoquinoline urea compound 7
1-[2-(morpholin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
1-[2-(piperidin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
1-[2-chloro-10-[3-(dimethylamino)propyl]-10,10a-dihydro-4aH-phenothiazin-8-yl]ethanone
-
1-[2-imino-3-(2-morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3,3-dimethylbutan-2-ol
-
IC50: 0.1 mM, 66% inhibition at 0.025 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
-
IC50: 0.016 mM
1-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-phenoxypropan-2-ol
-
IC50: 0.005 mM
1-[2-imino-3-(morpholin-4-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.1 mM
1-[2-imino-3-(piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-3-(4-methylphenoxy)propan-2-ol
-
IC50: 0.009 mM
1-[4-(methylsulfonyl)phenyl]-3-piperidin-1-ylpropan-1-one
-
containing one N-piperidyl group
10-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethyl)-10,10a-dihydro-4aH-phenothiazine
-
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
2,2'-(2-imino-1H-benzimidazole-1,3(2H)-diyl)bis(N,N-diethylethanamine)
-
IC50: 0.059 mM
2,2-dimethyl-3-(prop-2-en-1-yl)-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
2,3-Bis(3-(2-amidinohydrazono)-butyl)-1,4-naphthoquinone dihydrochloride
-
-
2-(1-[3-[2-(trifluoromethyl)-4a,10a-dihydro-10H-phenothiazin-10-yl]propyl]piperidin-4-yl)ethanol
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-2-oxoethanamine
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylethanamine
-
2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylethanamine
-
2-(3-benzyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanol
-
IC50: 0.1 mM, 32% inhibition at 0.025 mM
2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidinyl-1'-yl)-N,N-dimethylethanamine
-
-
2-(4-[4-amino-6,7-bis[2-(dimethylamino)ethoxy]quinazolin-2-yl]piperazin-1-yl)naphthalene-1,4-dione
-
non-competitive inhibition, 79% inhibition at 0.05 mM
2-(5-nitro-2-furanylmethylidene)-N,N'-(1,4-piperazinediylbis(1,3-propanediyl))bishydrazinecarboximidamide tetrahydrobromide
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
2-chloro-10-(3-(4-(3-phenylpropyl)piperazin-1-yl)propyl)-10H-phenothiazine
-
-
2-chloro-10-[3-[(Z)-propyldiazenyl]propyl]-10,10a-dihydro-4aH-phenothiazine
-
2-methoxy-6-chloro-9-aminoacridine/2-hydroxyethanethiolate (2,2':6',2''-terpyridine)platinum(II) complex
-
4 chimeric compound variants, competitive and irreversible inhibition, probably Cys52 of the enzyme is specifically modified, 4'-substituted (terpyridine)platinum(II) containing complexes do not inhibit irreversibly
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanol
-
IC50: 0.024 mM, 85% inhibition at 0.025 mM
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
-
IC50: 0.007 mM, 91% inhibition at 0.025 mM
2-[3-[2-(diethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.019 mM
2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.029 mM
2-[3-[2-(dimethylamino)propyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]-1-(4-methylphenyl)ethanol
-
IC50: 0.035 mM
2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
-
23% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
-
non-competitive inhibition, 75% inhibition at 0.1 mM
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]naphthalene-1,4-dione
-
mixed-type inhibition, 57% inhibition at 0.1 mM
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
3',4'-dichlorobenzyl-[5-chloro-2-(phenylsulfanylphenylamino)-propyl]-dimethylammonium chloride
-
-
3,3'-[butane-1,4-diylbis[(3-aminopropyl)imino]]bis(N-[5-chloro-2-[(4-methoxyphenyl)sulfanyl]phenyl]propanamide)
-
IC50: 0.0003 mM
3,3'-[polyaminobis(carbonylalkyl)]bis(1,4-naphthoquinone) derivatives
-
-
3,4-dichloro-N-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-N,N-dimethylanilinium
-
-
3,4-dichloro-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
3-(2-butanoyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
3-(2-carbamoyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(4-methylbenzyl)propan-1-aminium
-
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-N-(pentafluorobenzyl)propan-1-aminium
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,4-dimethylbenzyl)-N,N-dimethylpropan-1-aminium
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3-(2-chloro-10H-phenothiazin-10-yl)-N-(3,5-dimethoxybenzyl)-N,N-dimethylpropan-1-aminium
-
3-(2-chloro-10H-phenothiazin-10-yl)-N-[4-(cyclohexylmethyl)benzyl]-N,N-dimethylpropan-1-aminium
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3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-3-oxopropan-1-amine
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethylpropan-1-amine
-
3-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N-methylpropan-1-amine
-
3-(2-chloro-5-oxido-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
3-(2-hexanoyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-oxopropan-1-aminium chloride
-
containing two Cl groups and one NMe2 HCl group
3-(4-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
-
3-(4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
-
3-(5-bromo-2-fluorophenyl)-1-butyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-cyclopentyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-1-[2-(dimethylamino)ethyl]-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methyl-1-(propan-2-yl)pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e,1,2,4]triazine-5,7(1H,6H)dione
-
-
3-(5-bromo-2-fluorophenyl)-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-(5-bromothiophen-2-yl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([2-[(4-tert-butylphenyl)amino]-5-fluorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
mixed-type inhibition
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
3-Benzyl-1-[3-(7-chloro-quinolin-4-ylamino)-propyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[4-(7-chloro-quinolin-4-ylamino)-butyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-Benzyl-1-[6-(7-chloro-quinolin-4-ylamino)-hexyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
-
3-methoxycarpachromene
the potent biomolecule could be an effective strategy to solve antimony-resistant strains and represent a drug candidate as an anti-Trypanosomatidae species drug
-
3-[(2,3-dimethylphenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-2,3-diMePh group
3-[(3-fluorophenyl)amino]-1-(3-nitrophenyl)propan-1-one
-
containing one NH-3-FPh group
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[2-(aminomethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
3-[2-(hydroxymethyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
3-[2-(methoxycarbonyl)-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
3-[2-[(1E)-N-benzyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
3-[2-[(E)-(hydroxyimino)methyl]-10H-phenothiazin-10-yl]-N,N-dimethylpropan-1-aminium
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
4,4'-bis(4-benzyloxy-3-methoxybenzimidoylamino)di-cyclohexylmethane
-
97% inhibition at 0.1 mM, in the presence of 0.1 mM trypanothione disulfide
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
4-((1-(4-ethylphenyl)-2-methyl-5-(4-(methylthio)phenyl)-1H-pyrrol-3-yl)methyl)thiomorpholine
most active inhibitor
4-(2-(([1,1'-biphenyl]-4-ylmethyl)amino)-N-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-4-(dimethylamino)-7Hpyrrolo[2,3-d]pyrimidine-6-carboxamido)butan-1-aminium 2,2,2-trifluoroacetate
-
-
4-(2-(4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidin-1'-yl)ethyl)morpholine
-
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxo-N'-phenylbutanehydrazide
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxobutanoic acid
-
4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-4-oxobutan-1-amine
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
4-(azepan-1-ylmethyl)-2,6-di-tert-butylphenol
-
containing one Bu group and one N-homopiperidylde group
4-(benzofuroxan-5-ylmethyloxy)benzaldehyde amidinohydrazone
-
50% of inhibition at a inhibitor dose of 0.1 mM, 30% of inhibition at a inhibitor dose of 0.04 mM
4-(benzyloxy)-N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
4-(N-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-4-(dimethylamino)-2-((2-(naphthalen-2-yl)ethyl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamido)butan-1-aminium 2,2,2-trifluoroacetate
-
-
4-(N-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-4-(dimethylamino)-2-((3-phenylpropyl)amino)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxamido)butan-1-aminium 2,2,2-trifluoroacetate
-
-
4-(N-(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-4-(dimethylamino)-2-(phenethylamino)-7H-pyrrolo[2,3-d]-pyrimidine-6-carboxamido)butan-1-aminium 2,2,2-trifluoroacetate
-
-
4-[(4E)-5-(2-chlorophenyl)-3-oxopent-4-en-1-yl]morpholin-4-ium chloride
-
0.1 mM, irreversible inhibition
4-[(7-chloro-4-nitro-2,1,3-benzothiadiazol-5-yl)sulfanyl]quinazoline
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
4-[(dimethylamino)methyl]-2,6-bis(1-methylethyl)phenol
-
containing one Pr group and one NMe2 group
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
5,5'-dithiobis(N-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrobenzamide)
-
recombinant enzyme
5,7-dichloro-4-nitro-2,1,3-benzothiadiazole
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
5-(5-(1-(pyrrolidin-1-yl)cyclohexyl)-1,3-thiazol-2-yl)-1H-indole
competitive inhibition
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-pyridin-2-ylphenyl)sulfanyl]aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
5-nitro-furan-2-carboxylic acid (3-dimethylamino-propyl)-amide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0019 microM, EC50 value for toxicity against HeLa cells 0.074 microM
5-nitrofuran-2-carboxylic acid benzylamide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0015 microM, EC50 value for toxicity against HeLa cells 0.123 microM
5-nitrofuran-2-carboxylic acid dibenzylamide
reversible uncompetitive inhibition regarding substrate trypanothione disulfide, IC50 value for Trypanooma cruzi growth inhibition 0.0001 microM, EC50 value for toxicity against HeLa cells 0.078 microM
6,7-bis[2-(dimethylamino)ethoxy]-2-[4-(1H-indol-3-ylacetyl)piperazin-1-yl]quinazolin-4-amine
-
44% inhibition at 0.05 mM
6,7-dimethoxy-2-[4-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6,7-dimethoxy-2-[4-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]piperazin-1-yl]quinazolin-4-amine
-
complete inhibition at 0.1 mM
6-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-N,N-diethyl-6-oxohexan-1-amine
-
6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4-amine
i.e. RD 777. IC50 value 0.029 microM for promastigote assay. Competitive with respect to substrate trypanothione disulfide
6-bromo-2-(5-methylfuran-2-yl)-N-(2-morpholinoethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(4-sulfamoylbenzyl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(morpholin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-2-(5-methylfuran-2-yl)-N-(pyridin-3-yl)quinoline-4-carboxamide
-
-
6-bromo-N,N,N-trimethyl-2-(2-(5-methylfuran-2-yl)quinoline-4-carboxamido)ethanaminium iodide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
linear mixed-type inhibition
6-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylthiophen-2-yl)-quinoline-4-carboxamide
-
-
6-bromo-N-(2-(dimethylamino)ethyl)-2-(furan-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(2-(methylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[2-(dimethylamino)ethyl]-2-(pyridin-4-yl)quinoline-4-carboxamide
-
-
6-bromo-N-[3-(1H-imidazol-1-ylamino)propyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-2-(5-methylfuran-2-yl)-N-[3-(morpholin-4-yl)propyl]quinoline-4-carboxamide
-
-
6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-(4-pyridyl) quinazolin-4-one
-
febrifugine analogue, putative inhibitor identified by molecular docking
6-chloro-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
6-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
-
-
7-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
7-ethoxy-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-ethyl-4-methyl-N-(4,4,6-trimethyl-4,5-dihydropyrimidin-2-yl)quinazolin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
8-bromo-N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
9-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione
-
Ac-PKIIQSVGISMKM-NH2
the enzyme is almost completely inactivated after 50 min (3000 s) in the presence of 0.025 mM
benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
19% of inhibition at a inhibitor dose of 0.1 mM, 9% of inhibition at a inhibitor dose of 0.04 mM
benzoyl-Gly-L-Arg-L-Arg-L-Leu-beta-naphthylamide
reversible and competitive inhibition
benzoyl-L-Leu-L-Arg-L-Arg-beta-naphthylamide
reversible and competitive inhibition
benzoyl-L-Phe-L-Val-L-Arg-7-amido-4-methylcoumarin
reversible and competitive inhibition
benzoyl-Lys-Phe-Arg-p-nitroanilide
reversible and competitive inhibition
benzyloxycarbonyl-Ala-Arg-Arg-4-methoxy-beta-naphthylamide
reversible and competitive inhibition
benzyloxycarbonyl-Gly-Gly-L-Arg-7-amido-4-methylcoumarin
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-4-methoxy-beta-naphthylamide
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-L-Arg-p-nitroanilide
reversible and competitive inhibition
benzyloxycarbonyl-L-Arg-p-nitroanilide
reversible and competitive inhibition
benzyloxycarbonyl-L-Lys-4-methoxy-beta-naphthylamide
reversible and competitive inhibition
bis(9H-fluoren-9-ylmethyl) [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
bisbenzylisoquinoline alkaloids
-
e.g. cepharanthine, (-)curine, daphnoline, antioquine, limacine, cycleanine
-
butyl 4-[[3-(3-nitrophenyl)-3-oxopropyl]amino]benzoate
-
containing one NH-4-(CO2-nBu)Ph group
cephalotaxine
-
compound is an alkaloid scaffold lead in the search for inhibitors
cis-3-(1,3-dioxolan-2-yl)-8-bromo-9b-(trans-acrylic acid)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8,9b-bis-(trans-N-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.029 mM
cis-3-oxo-8,9b-bis-(trans-N1-(acrylamidospermidyl))-1,2,3,4,4a,9b-hexahydrodibenzofuran
-
cis-3-oxo-8,9b-bis-(trans-N3-(dimethylamino)propylacrylamido)-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
0.1 mM
cis-3-oxo-8-trans-(N-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
IC50: 0.056 mM
cis-3-oxo-8-trans-(N1-acrylamidospermidyl)-9b-trans-ethylacrylyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
Lunaria biennis
-
-
crude extract of Lentinus strigosus
-
100% inhibition of trypanothione reductase
-
cryptolepine
-
compound is an alkaloid scaffold lead in the search for inhibitors
dethiotrypanothione
-
trypanothione disulfide analogue 2, lack the disulfide
dibenzyl [(18S,23S)-3,14,17,24-tetraoxo-1,4,8,13,16-pentaazacyclotetracosane-18,23-diyl]biscarbamate
-
lack the disulfide and trypanothione's gamma-glutamyl groups have been replaced by hydrophobic aromatic moieties
ethyl 2-acetyl-5-[4-butyl-2-(3-hydroxypentyl)-5-nitro-1H-imidazol-1-yl]pent-2-enoate
-
putative drug candidate for the treatment of visceral leishmaniasis
eupomatenoid-5
-
eupomatenoid-5 decreases enzyme activity, leading to a relative increase in reactive oxygen species that triggers mitochondrial depolarization followed by an absolute increase in mitochondrial reactive oxygen and nitrogen species production through the electron transport chain. This increase in reactive oxygen and nitro-gen species induces oxidative damage, leading to parasite death
heptyl (2E)-2-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinecarboxylate
-
-
hypnophilin
-
100% inhibition of trypanothione reductase, reduces the proliferation of human peripheral blood monocluear cells, not cytotoxic for lymphocytes and monocytes
isopropyl 2-isobutyryl-3-trifluoromethylquinoxaline-7-carboxylate 1,4-di-N-oxide
noncompetitive. IC50 values against strains NINOA and INC-5 are 0.060 microM and 0.073 microM, respectively, IC50 against human glutathione reductase is 0.050 microM
L-Phe-L-Pro-L-Arg-4-methoxy-beta-naphthylamide
reversible and competitive inhibition
masticadienonic acid
the potent biomolecule could be an effective strategy to solve antimony-resistant strains and represent a drug candidate as an anti-Trypanosomatidae species drug
-
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-(5-chloro-2-[[3-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
N,N'-(4,4'-diselanediylbis[4,1-phenylene])bisfuran-2-carboxamide
-
-
N,N'-(furan-2,5-diyldibenzene-4,1-diyl)diacetamide
-
IC50: 0.0485 mM, 54% inhibition at 0.02 mg/ml
N,N-diethyl-2-(2-imino-3-prop-2-en-1-yl-2,3-dihydro-1H-benzimidazol-1-yl)ethanamine
-
IC50: 0.1 mM, 31% inhibition at 0.025 mM
N,N-diethyl-2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanamine
-
IC50: 0.008 mM
N,N-dimethyl-3-(2-propanoyl-10H-phenothiazin-10-yl)propan-1-aminium
-
N,N-dimethyl-3-(3-nitrophenyl)-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-aminium
-
N,N-dimethyl-3-[2-[(1E)-N-methyl-N-oxidoethanimidoyl]-10H-phenothiazin-10-yl]propan-1-aminium
-
N,N-dimethyl-3-[4-(methylsulfonyl)phenyl]-3-oxopropan-1-aminium chloride
-
containing one NMe2 HCl group
N-(2-(dimethylamino)ethyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-(dimethylamino)ethyl)-6-fluoro-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
-
-
N-(2-phenoxyethyl)-N'-(2-piperidin-1-ylethyl)benzene-1,2-diamine
-
IC50: 0.1 mM
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(pentafluoro-l6-sulfanyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
mixed-type inhibition
N-(3,4-dichlorobenzyl)-3-[(5-fluoro-2-[[4-(trifluoromethyl)phenyl]amino]phenyl)amino]-N,N-dimethylpropan-1-aminium chloride
competitive inhibition
N-(3,5-di-tert-butyl-4-hydroxybenzyl)-2-hydroxyethanaminium chloride
-
containing one Bu group and one N((CH2)2OH) HCl group
N-(3-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-(3-dimethylamino-propyl)-O-[(E)-3-(3-[(E)-3-[N-(3-dimethylamino-propyl)aminooxy]-propenyl]-benzofuran-5-yl)-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-(4-bromobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-(4-chlorobenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-(4-tert-butylbenzyl)-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-butane-1,4-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
-
enzyme and growth inhibition
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-hexane-1,6-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethyl-aminomethyl)ferrocenylmethyl]-propane-1,3-diamine
-
-
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-benzyl-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-benzyl-4-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-4-oxobutanamide
-
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Ala
-
glutathione analogue, ASC-I-74B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Leu-Gly
-
glutathione analogue, ASC-I-74A, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Ala
-
glutathione analogue, ASC-I-75B, inhibition of parasite growth and trypanothione reductase activity
N-benzyolxycarbonyl-L-glutamyl(-benzoyl)-L-Val-Gly
-
glutathione analogue, ASC-I-75A, inhibition of parasite growth and trypanothione reductase activity
N-[(2E)-1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)-1,3-dihydro-2H-benzimidazol-2-ylidene]acetamide
-
IC50: 0.1 mM
N-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
-
-
N-[(4-methylpiperazin-1-yl)methyl]-1-thiophen-2-ylmethanediamine
-
0.1 mM, 10% inhibition in the presence of 0.11 mM or 0.04 mM trypanothione disulfide
N-[2-(2-chloro-4a,10a-dihydro-10H-phenothiazin-10-yl)-2-oxoethyl]aniline
-
N-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
5% inhibition at 0.1 mM
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
N-[2-[(naphthalen-1-ylacetyl)amino]ethyl]-4-[[(3-nitrophenyl)(oxo)acetyl]amino]piperidine-4-carboxamide
-
0.1 mM
N-[3-(4-amino-butylamino)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-amino-butylamino)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-(4-methyl-piperazin-1-yl)-propyl]-O-[(E)-3-[3-((E)-3-[N-[3-(4-methyl-piperazin-1-yl)-propyl]aminooxy]-propenyl)-benzofuran-5-yl]-allyl]-hydroxylamine
-
benzofuranyl-based acyclic bis-polyamine analogue of lunarine with a planar bicyclic benzofuranyl scaffold, inhibition mechanism
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-4-(diphenylmethoxy)-N,N-dimethylanilinium
-
-
N-[3-([2-[(4-chlorophenyl)sulfanyl]phenyl]amino)propyl]-N,N-dimethylanilinium
-
-
N-[4-(benzyloxy)benzyl]-3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-aminium
-
N-[5-chloro-2-(phenylsulfanyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
-
0% inhibition at 0.04 mM
N1,N4-bis(3-aminopropyl)-N1-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-10-yl)-N4-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)butane-1,4-diamine
-
-
N1,N9-bis-(L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide))-norspermidine
-
non-competitive inhibitor
N1,N9-bis-(L-tryptophanyl-L-arginyl)-norspermidine
-
non-competitive inhibitor
N1-((1-(3-(2-(2-oxoimidazolidin-1-yl)ethoxy)-4-(4-phenethylthiazol-2-yl)phenyl)-1H-imidazol-2-yl)methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-((1-(4-(4-(2-(naphthalen-2-yl)ethyl)thiazol-2-yl)-3-(2-(2-oxoimidazolidin-1-yl)ethoxy)phenyl)-1H-imidazol-2-yl)-methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-((1-(4-(4-(2-([1,1'-biphenyl]-4-yl)ethyl)thiazol-2-yl)-3-(2-(2-oxoimidazolidin-1-yl)ethoxy)phenyl)-1H-imidazol-2-yl)methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-((1-(4-(4-benzylthiazol-2-yl)-3-(2-(2-oxoimidazolidin-1-yl)ethoxy)phenyl)-1H-imidazol-2-yl)methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-((1-(4-(4-isobutylthiazol-2-yl)-3-(2-(2-oxoimidazolidin-1-yl)ethoxy)phenyl)-1H-imidazol-2-yl)methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-((1-(4-(4-neopentylthiazol-2-yl)-3-(2-(2-oxoimidazolidin-1-yl)ethoxy)phenyl)-1H-imidazol-2-yl)methyl)ethane-1,2-diaminium 2,2,2-trifluoroacetate
-
-
N1-(3-aminopropyl)-N1-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-10-yl)butane-1,4-diamine
-
-
N1-(3-aminopropyl)-N1-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-10-yl)propane-1,3-diamine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-L-arginyl-norspermidine
-
non-competitive inhibitor
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-acetyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-N9-hexanoyl-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
-
N1-L-tryptophanyl-L-arginyl-N9-L-tryptophanyl-L-arginyl(2,2,5,7,8-pentamethylchroman-6-sulfonamide)-norspermidine
-
non-competitive inhibitor
N4-allyl benzofuroxan-5-carboxaldehyde thiosemicarbazone
-
9% of inhibition at a inhibitor dose of 0.1 mM, 13% of inhibition at a inhibitor dose of 0.04 mM
NADPH
-
NADPH inhibits the enzyme at higher concentration and during longer incubation times, enzyme can be protected by NADP+
oxidized 3-acetylpyridine adenine nucleotide
-
wild-type and mutant E201D and E201Q
-
quebrachamine
-
compound is an alkaloid scaffold lead in the search for inhibitors
quinacrine mustard
-
enzyme and inhibitor first forms a reversible complex, then irreversible inactivation of NADPH-reduced and oxidized enzyme occurs, enzyme contains 2 interacting binding sites in the active site for the inhibitors, 2 inhibitor molecules per enzyme monomer are bound, addition of 2-mercaptoethanol prevents inactivation up to 25 mM, clomipramine strongly protects th enzyme from inactivation
spermidine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
spermine derivatives
-
derivatives of 2-amino-diphenylsulfide + phenothiazine
-
tert-butyl 4'-(benzo[b]thiophen-2-yl)-1,4'-bipiperidine-1'-carboxylate
-
-
tert-butyl-L-Leu-L-Arg-L-Arg-7-amido-4-methylcoumarin
reversible and competitive inhibition
tert-butyl-L-Leu-L-Lys-L-Arg-7-amido-4-methylcoumarin
reversible and competitive inhibition
trans-[3-(3,4-dibromophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
trans-[3-(3,4-dichlorophenyl)-6-methoxyindan-1-yl]-(3-methylbutyl)amine
-
-
Urea
-
1 mM urea has no significant effect on activity whereas 50% enzyme inhibition is observed at 750 mM, enzyme after treatment with urea below 500 mM regains about 95% activity
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hex-3-enyl]-carbamic acid benzyl ester
-
-
[6-benzyloxycarbonylamino-1,6-bis-(dimethylcarbamoylmethyl-carbamoyl)-hexyl]-carbamic acid benzyl ester
-
-
[[(7-nitro-2,1,3-benzoxadiazol-4-yl)methyl]sulfanyl]methyl phenylcarbamate
-
reversible. Compound inhibits parasite proliferation with EC50 values between 50 and 5 microM
ZINC01063940
(3'R,4'R)-3'-carbamoyl-1'-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-1,4'-bipiperidinium
ZINC01063940
-
11% growth inhibition, no inhibition of glutathione reductase
1,3-bis[3-(dimethylamino)propyl]-1,5-dihydro-2H-pyrimido[4,5-beta][1,4]benzothiazine-2,4(3H)-dione
-
no inhibition of glutathione reductase
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
-
-
1-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-4-methylpiperazine
36% inhibition at 0.1 mM
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((1-(2,6-bis(phenylthio)phenyl)-1H-1,2,3-triazol-4-yl)methyl)piperazine
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
-
1-(1-(benzo[b]thiophen-2-yl)cyclohexyl)-4-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-4-yl)methyl)piperazine
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-((2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)methyl)-N,N-dimethylmethanaminium formate
86% inhibition at 0.04 mM
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
-
-
1-(2-(2,6-bis(phenylthio)phenyl)-1H-imidazol-5-yl)-N-(3,4-dichlorobenzyl)-N,N-dimethylmethanaminium formate
52% inhibition at 0.04 mM
ZINC05829158
1-(2-oxo-2-[[2-(phenylsulfanyl)phenyl]amino]ethyl)-4-phenylpiperazin-1-ium
ZINC05829158
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
-
1-(3,4-dichlorobenzyl)-4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methylpiperazin-1-ium formate
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
-
1-(3,4-dichlorobenzyl)-4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methylpiperazin-1-ium
-
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.004 mM
1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
IC50: 0.01 mM, 92% inhibition at 0.025 mM
1-(3,4-dichlorophenyl)-2-[3-[2-(dimethylamino)ethyl]-2-imino-2,3-dihydro-1H-benzimidazol-1-yl]ethanol
-
-
ZINC00346140
1-(3-bromobenzyl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
ZINC00346140
ZINC1064012
1-(4-methylphenyl)-5-oxo-N-[2-(phenylsulfanyl)phenyl]pyrrolidine-3-carboxamide
ZINC1064012
ZINC00702046
1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-ethylpiperazinediium
ZINC00702046
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
-
-
1-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-4-methylpiperazine
16% inhibition at 0.1 mM
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
ZINC05119716
1-benzyl-4-[[(1E)-(1-cyclohexyl-2,4,6-trioxohexahydropyrimidin-5-yl)methylidene]amino]-1-methylpiperidinium
ZINC05119716
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition
-
1-ethyl-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 27% inhibition
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([1-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl]methyl)piperazine
28% inhibition at 0.1 mM
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
-
-
1-[1-(1-benzothiophen-2-yl)cyclohexyl]-4-([2-[5-bromo-2-(phenylsulfanyl)phenyl]-1H-imidazol-4-yl]methyl)piperazine
28% inhibition at 0.1 mM
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 11% inhibition
-
1-[1-(4,5-diphenylthiophen-2-yl)cyclohexyl]pyrrolidine
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 15% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 11% inhibition
-
1-[1-[4,5-bis(2H-1,3-benzodioxol-5-yl)thiophen-2-yl]cyclohexyl]pyrrolidine
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 23% inhibition
-
ZINC04866531
1-[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]azepanium
ZINC04866531
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase,60 % inhibition
-
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 78% inhibition
-
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethyl-aminomethyl)-ferrocenylmethyl]-3-p-chloro-phenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 9, enzyme and growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, growth inhibition
1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]-3-p-methoxyphenyl-urea
-
ferrocenic 4-aminoquinoline urea compound 6, enzyme and growth inhibition
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 34% inhibition
-
1-[2-(morpholin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 38% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 80% inhibition
-
1-[2-(piperazin-1-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 88% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 68% inhibition
-
1-[2-(piperidin-4-yl)ethyl]-5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 84% inhibition
-
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
-
-
1-[2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
25% inhibition at 0.1 mM
ZINC00347698
12-chloro-1,1-dimethyl-1,2,3,4,4a,13b-hexahydrodibenzo[2,3:6,7]thiepino[4,5-b]pyridin-1-ium
ZINC00347698
2-(1-cyclopentylcyclohexyl)-1-benzothiophene
61% inhibition at 0.04 mM
ZINC03307332
2-(2,4-dioxo-1,3-diazaspiro[4.6]undec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
ZINC03307332
ZINC2628155
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-[2-(phenylsulfanyl)phenyl]acetamide
ZINC2628155
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
-
2-(dimethylamino)-N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]acetamide
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]-2-oxoethanaminium formate
-
-
39% inhibition at 0.1 mM
2-[(4-bromophenyl)sulfanyl]-5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 76% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 69.5% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 70% inhibition at 0.001 mM
2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-5-(phenylamino)-2,5-dihydro-1,3,4-thiadiazol-3-ium chloride
-
non-competitive inhibition, 83% inhibition at 0.001 mM
ZINC04427277
2-[3-(2-chloro-10H-phenothiazin-10-yl)-3-oxopropyl]octahydro-2H-pyrido[1,2-a]pyrazinediium
ZINC04427277
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
58% inhibition at 0.1 mM
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
-
-
2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]-N-phenyl-3-(phenylsulfanyl)aniline
42% inhibition at 0.1 mM
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-(pentafluorobenzyl)-2-oxoethanaminium formate
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
-
2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-N-[(5-nitro-2-furyl)methyl]-2-oxoethanaminium formate
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 10% inhibition
-
3,3'-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophene-2,3-diyl]dipyridine
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 10% inhibition
-
ZINC00347760
3-(11H-dibenzo[b,e][1,4]dithiepin-11-yl)-N,N-dimethylpropan-1-aminium
ZINC00347760
ZINC04128838
3-(11H-dibenzo[b,e][1,4]oxathiepin-11-ylmethyl)-1-methylpiperidinium
ZINC04128838
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4'-methylbiphenyl-4-yl)thio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-([5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[1-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-([5-chloro-2-[2-naphthylthio]phenyl]amino)-N-(3,4-dichlorobenzyl)-N,N-dimethyl-propan-1-ammonium chloride
-
-
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
growth inhibition
3-benzyl-1-[2-(7-chloro-quinolin-4-ylamino)-ethyl]-1-[2-(N'',N''-dimethylaminomethyl)-ferrocenylmethyl]urea
-
enzyme and growth inhibition
-
-
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
-
IC50: 0.0065 mM
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[2-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[3-(trifluoromethyl)phenyl]thio]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor, 38% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
cationic diaryl sulphide-based inhibitor, 99% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N,N-dimethyl-N-[(5-nitrofuran-2-yl)methyl]propan-1-aminium bromide
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
cationic diaryl sulphide-based inhibitor, 0% growth inhibition
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-aminium chloride
-
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
about 60% inhibition at 0.04 mM
3-[[5-chloro-2-(phenylsulfanyl)phenyl]amino]-N-(3,4-dichlorobenzyl)-N,N-dimethylpropan-1-ammonium chloride
-
-
-
0.1 mM, 15 min, 62% inhibition. The enzyme is inhibited by 4,15-iso-atriplicolide esters in its reduced dithiol state
-
-
0.1 mM, 15 min, 68% inhibition. The enzyme is inhibited by 4,15-iso-atriplicolide esters in its reduced dithiol state
-
4,15-iso-atriplicolide methacrylate
0.1 mM, 15 min, 41% inhibition
-
-
0.1 mM, 15 min, 87% inhibition. The enzyme is inhibited by 4,15-iso-atriplicolide esters in its reduced dithiol state
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
-
4-(2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-2-oxoethyl)-1-methyl-1-(pentafluorobenzyl)piperazin-1-ium formate
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
-
4-[2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-2-oxoethyl]-1-methyl-1-[(5-nitrofuran-2-yl)methyl]piperazin-1-ium formate
-
ZINC02240886
4-[6-[(3-chlorophenyl)carbamoyl]-4-oxo-1,4,5,6-tetrahydropyrimidin-2-yl]-1-methylpiperazin-1-ium
ZINC02240886
-
-
5-chloro-2-[(4-chlorophenyl)sulfanyl]-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
-
-
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
33% inhibition at 0.1 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-(phenylsulfanyl)aniline
-
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-1-ylphenyl)sulfanyl]aniline
-
-
-
less than 5% inhibition at 0.04 mM
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[(2-naphthalen-2-ylphenyl)sulfanyl]aniline
-
-
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
-
-
5-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-[[4-(trifluoromethyl)phenyl]sulfanyl]aniline
-
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition
-
5-[2-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 41% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 29% inhibition
-
5-[2-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-3-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 38% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 23% inhibition
-
5-[3-(1-benzothiophen-5-yl)-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 43% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 14% inhibition
-
5-[3-phenyl-5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 41% inhibition
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 19% inhibition
-
5-[5-[1-(pyrrolidin-1-yl)cyclohexyl]thiophen-2-yl]-1H-indole
-
0.012 mM inhibitor in presence of 0.04 mM trypanothione reductase, 51% inhibition
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
-
-
7-methoxy-N-[2-([[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl)-3-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl]-4a,9a-dihydroacridin-2-amine
31% inhibition at 0.02 mM
-
i.e. (E,Z)-4,5,9-trithiadodeca-1,6,11-triene-9-oxide, natural compound from garlic, Allium sativum, covalent inhibition, but also substrate; time- and temperature-dependent inhibition
-
11% growth inhibition, no inhibition of glutathione reductase
-
inhibits trypanothione reductase and acts as subversive substrate
-
inhibition only of the enzyme with reduced cysteine residues in the catalytic center by alkylation
iodoacetamide
-
inhibition only of the enzyme with reduced cysteine residues in the catalytic center by alkylation
lunarine
-
Lunaria derived alkaloid with a unusual 3-oxohexahydrodibenzofuranyl tricyclic scaffold, competitive, reversible formation of a covalent adduct between Cys53 and one of the alpha,beta-unsaturated amide groups of lunarine, mechanism, enzyme needs to be in reduced state
-
inhibition is increased in presence of NADPH, inhibition is abolished by melarsen-trypanothione disulfide adduct
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
melarsen-trypanothione disulfide adduct
-
i.e. adduct of p-(4,6-diamino-S-triazinyl-2-yl)aminophenyl arsenoxide with N1,N8-bis-(glutathionyl)spermidine
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
-
-
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
-
-
N'-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N,N-dimethylethane-1,2-diamine
19% inhibition at 0.02 mM
-
-
N'-(5-chloro-2-[[2-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
-
-
N'-(5-chloro-2-[[4-(trifluoromethyl)phenyl]sulfanyl]phenyl)-N,N-dimethylpropane-1,3-diamine
-
-
-
-
N'-[2-[(4-bromophenyl)sulfanyl]-5-chlorophenyl]-N,N-dimethylpropane-1,3-diamine
-
-
-
-
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
-
-
N'-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-N,N-dimethyl-1,2-ethanediamine
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
-
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
-
-
N'-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N,N-dimethylethane-1,2-diamine
28% inhibition at 0.02 mM
-
-
N'-[5-chloro-2-(naphthalen-1-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
-
-
N'-[5-chloro-2-(naphthalen-2-ylsulfanyl)phenyl]-N,N-dimethylpropane-1,3-diamine
-
-
-
-
-
-
N'-[5-chloro-2-[(4-chlorophenyl)sulfanyl]phenyl]-N,N-dimethylpropane-1,3-diamine
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57% growth inhibition, no inhibition of glutathione reductase, twenty-three heterocyclic compounds are evaluated for their potential as trypanothione reductase inhibitors
N,N-dimethyl-N-[3-(7-methoxy-1-methyl-3,4-dihydro-9H-beta-carbolin-9-yl)propyl]amine
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no inhibition of glutathione reductase, twenty-three heterocyclic compounds are evaluated for their potential as trypanothione reductase inhibitors
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
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N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
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N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-2-(4-methylpiperazin-1-yl)acetamide
20% inhibition at 0.02 mM
N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
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N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
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N-(2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-[[4-(trifluoromethyl)phenyl]sulfanyl]benzyl)-N2,N2-dimethylglycinamide
23% inhibition at 0.02 mM
N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(naphthalen-1-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-([2-[(7-methoxy-8a,10a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]amino)-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
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N-(3,4-dichlorobenzyl)-2-[[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]amino]-N,N-dimethyl-2-oxoethanaminium
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growth inhibition
N-(7-Chloro-quinolin-4-yl)-N'-[2-(N'',N''-dimethylaminomethyl)ferrocenylmethyl]-ethane-1,2-diamine
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growth inhibition
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N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
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N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
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N-([2-[2,6-bis(phenylsulfanyl)phenyl]-1H-imidazol-5-yl]methyl)-N-ethylethanamine
46% inhibition at 0.1 mM
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N-methyl-N-(2-oxo-2-(2-(phenylthio)phenylamino)ethyl)cyclohexanaminium
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ZINC00667609
N-[2-(phenylsulfanyl)phenyl]-2-[(phenylsulfonyl)amino]propanamide
ZINC00667609
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
ZINC02647011
N-[2-[(4-chlorophenyl)sulfanyl]phenyl]-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
ZINC02647011
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N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
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N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)acetamide
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N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
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N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
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N-[2-[(7-methoxy-2-acridinyl)amino]-6-(phenylsulfanyl)benzyl]-2-(4-methyl-1-piperazinyl)ethanimidamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
19% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(naphthalen-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
15% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-2-(4-methylpiperazin-1-yl)acetamide
16% inhibition at 0.02 mM
N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
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N-[2-[(7-methoxy-4a,9a-dihydroacridin-2-yl)amino]-6-(pyridin-2-ylsulfanyl)benzyl]-N2,N2-dimethylglycinamide
12% inhibition at 0.02 mM
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N-[5-chloro-2-(phenylthio)phenyl]-3-(4-methylpiperazine-1-yl)-propanamidine
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N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
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N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine
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thioridazine
potent irreversible inhibitor. 100% inhibition at 0.010 mM
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insights about resveratrol analogs against trypanothione reductase. Molecular modeling, computational docking and in vitro antileishmanial studies
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additional information
not inhibited by Ac-KMGISSMVQPKII-NH2 and Ac-KIIPKVQGMSIMS-NH2
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additional information
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not inhibited by Ac-KMGISSMVQPKII-NH2 and Ac-KIIPKVQGMSIMS-NH2
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additional information
Lunaria biennis
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no inhibition by 0.1 mM cis-3-(1,3-dioxolan-2-yl)-8,9b-bis-(trans-ethyl-acrylyl)-1,2,3,4,4a,9b-hexahydrodibenzofuran
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additional information
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increasing ionic strength leads to inhibition, e.g. with NaCl, KCl, (NH4)SO4, HEPES
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additional information
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antiparasitic drugs designed using three-dimensional structure
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additional information
a virtual screening of a library of thiadiazine derivatives against trypanothione reductase using molecular docking is performed. Thiadiazine-based compounds are identified as plausible candidates to selectively inhibit the parasitic enzyme
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