Drug Information

Drug General Information
Drug ID
DX1YET
Drug Name
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydro-1H-cyclopenta[i]phenanthridine-1-carboxylic acid diethylamide
Synonyms
CHEMBL310022
Indication Discovery agent Investigative [1587926]
Formula
C23H34N2O2
Canonical SMILES
CCN(CC)C(=O)[C@H]1CCC2C3CN=C4C=C(O)C=C[C@]4(C)C3CC[C@]12C
InChI
InChI=1S/C23H34N2O2/c1-5-25(6-2)21(27)19-8-7-17-16-14-24-20-13-15(26)9-11-23(20,4)18(16)10-12-22(17,19)3/h9,11,13,16-19,26H,5-8,10,12,14H2,1-4H3/t16?,17?,18?,19-,22+,23-/m1/s1
InChIKey
ZFZLLLFBWBJQJN-PAJIOFOTSA-N
Target and Pathway
Target(s) 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Target Info [1587926]
3-oxo-5-alpha-steroid 4-dehydrogenase 2 Target Info [1587926]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis
Androgen biosynthesis
KEGG Pathway Steroid hormone biosynthesishsa00140:Steroid hormone biosynthesis
Prostate cancer
NetPath Pathway IL2 Signaling Pathway
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome Androgen biosynthesisR-HSA-193048:Androgen biosynthesis
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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