Literature summary for 1.14.14.32 extracted from

Kuzikov, A.V.; Dugin, N.O.; Stulov, S.V.; Shcherbinin, D.S.; Zharkova, M.S.; Tkachev, Y.V.; Timofeev, V.P.; Veselovsky, A.V.; Shumyantseva, V.V.; Misharin, A.Y.
Novel oxazolinyl derivatives of pregna-5,17(20)-diene as 17alpha-hydroxylase/17,20-lyase (CYP17A1) inhibitors (2014), Steroids, 88, 66-71.

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Inhibitors

Inhibitors	Comment	Organism	Structure
2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',4'-dimethyl-4',5'-dihydro-1',3'-oxazole	-	Homo sapiens
2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',5'-dihydro-1',3'-oxazole	-	Homo sapiens
abiraterone	i.e. 17-(pyridin-3-yl)androsta-5,16-dien-3beta-ol	Homo sapiens
TOK-001	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
pregnenolone + [reduced NADPH-hemoprotein reductase] + O2	Homo sapiens	-	17alpha-hydroxypregnenolone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?
progesterone + [reduced NADPH-hemoprotein reductase] + O2	Homo sapiens	-	17alpha-hydroxyprogesterone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
pregnenolone + [reduced NADPH-hemoprotein reductase] + O2	-	Homo sapiens	17alpha-hydroxypregnenolone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?
progesterone + [reduced NADPH-hemoprotein reductase] + O2	-	Homo sapiens	17alpha-hydroxyprogesterone + [oxidized NADPH-hemoprotein reductase] + H2O	-	?

Synonyms

Synonyms	Comment	Organism
17alpha-hydroxylase/17,20-lyase	-	Homo sapiens
CYP17A1	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0009	-	at pH 7.4 and 37°C	Homo sapiens	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',5'-dihydro-1',3'-oxazole
0.0013	-	at pH 7.4 and 37°C	Homo sapiens	abiraterone
0.013	-	at pH 7.4 and 37°C	Homo sapiens	2'-[[(E)-3beta-hydroxyandrost-5-en-17-ylidene]methyl]-4',4'-dimethyl-4',5'-dihydro-1',3'-oxazole

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Release 2023.1 (January 2023)