Drug Information

Drug General Information
Drug ID
D0R6DT
Former ID
DNC003339
Drug Name
Equilin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL
Formula
C18H20O2
Canonical SMILES
CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2=O
InChI
1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChIKey
WKRLQDKEXYKHJB-HFTRVMKXSA-N
CAS Number
CAS 474-86-2
PubChem Compound ID
223368
PubChem Substance ID
76023, 7887348, 8139975, 9377718, 10318998, 10321319, 11466878, 11467998, 11486496, 14714964, 15221806, 17395392, 30426527, 46506633, 46530457, 47206005, 47515354, 47515355, 47662327, 47810794, 49698662, 50124119, 50349598, 56422880, 57400017, 72794226, 85083119, 85787335, 92125805, 95613351, 103308722, 103913799, 113476960, 121363476, 124582936, 124800354, 129595529, 134973142, 137066005, 141003814, 144212958, 160965398, 162858348, 164152419, 164815975, 164841026, 175612028, 176267054, 179149000, 184575703
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [551393]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesis
NetPath Pathway FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Androgen and Estrogen Metabolism
Reactome The canonical retinoid cycle in rods (twilight vision)
WikiPathways Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate Cancer
References
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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