Brief Information of the Compound and Protein
Compound Name
(5aR,5bS,7aS,10aS,10bR)-8-(5-fluoropyridin-3-yl)-5a,7a-dimethyl-3,4,5,5a,5b,6,7,7a,10,10a,10b,10c,11,11a-tetradecahydro-2H-cyclopenta[5,6]cyclopropa[3,4]naphtho[1,2-d]azepin-2-one
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PubChem ID
CID: 89817286
Canonical SMILES
C[C@]12CCNC(=O)C=C1C1CC1[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12
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Compound Formula C25H29FN2O
Compound Structure
Protein Name
Steroid 17-alpha-hydroxylase/17,20 lyase
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 17
>
Cytochrome P450 family 17A
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Cytochrome P450 17A1
Uniprot ID
P05093
Gene Name
CYP17A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000263 NCI-H295R Homo sapiens (Human)  1
1
IC50 <= 15 nM
   TI
   LI
   LO
   TS