Drug Information

Drug General Information
Drug ID
D0I0KV
Former ID
DNC006186
Drug Name
16-(2',2'-Dimethyl)-propylidene-estrone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C23H30O2
Canonical SMILES
CC12CCC3C(C1CC(=CC(C)(C)C)C2=O)CCC4=C3C=CC(=C4)O
InChI
1S/C23H30O2/c1-22(2,3)13-15-12-20-19-7-5-14-11-16(24)6-8-17(14)18(19)9-10-23(20,4)21(15)25/h6,8,11,13,18-20,24H,5,7,9-10,12H2,1-4H3/b15-13+/t18?,19?,20?,23-/m0/s1
InChIKey
FSXMOAXUKSPGCO-MIWZRYNRSA-N
PubChem Compound ID
44407482
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [528033]
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 528033J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.
Ref 528033J Med Chem. 2006 Feb 23;49(4):1325-45.Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.

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