Drug Information

Drug General Information
Drug ID
D0JI0Q
Former ID
DNC006156
Drug Name
N-methyl estradiol-16-methyl carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C21H29NO3
Canonical SMILES
CC12CCC3C(C1CC(C2O)CC(=O)NC)CCC4=C3C=CC(=C4)O
InChI
1S/C21H29NO3/c1-21-8-7-16-15-6-4-14(23)9-12(15)3-5-17(16)18(21)10-13(20(21)25)11-19(24)22-2/h4,6,9,13,16-18,20,23,25H,3,5,7-8,10-11H2,1-2H3,(H,22,24)/t13?,16?,17?,18?,20-,21-/m0/s1
InChIKey
LFTDXZXJMDAPQK-LCKYQJBKSA-N
PubChem Compound ID
44407520
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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