Drug Information

Drug General Information
Drug ID
D0V4BE
Former ID
DNC006161
Drug Name
N-ethyl estrone-16-methyl carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C22H29NO3
Canonical SMILES
CCNC(=O)CC1CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)O
InChI
1S/C22H29NO3/c1-3-23-20(25)12-14-11-19-18-6-4-13-10-15(24)5-7-16(13)17(18)8-9-22(19,2)21(14)26/h5,7,10,14,17-19,24H,3-4,6,8-9,11-12H2,1-2H3,(H,23,25)/t14?,17?,18?,19?,22-/m0/s1
InChIKey
DGCNLEJTGGXFLE-SSBKPBJFSA-N
PubChem Compound ID
44407576
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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