Drug Information

Drug General Information
Drug ID
D0A5CD
Former ID
DNC006162
Drug Name
N,N-diethyl estrone-16-methyl carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C24H33NO3
Canonical SMILES
CCN(CC)C(=O)CC1CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)O
InChI
1S/C24H33NO3/c1-4-25(5-2)22(27)14-16-13-21-20-8-6-15-12-17(26)7-9-18(15)19(20)10-11-24(21,3)23(16)28/h7,9,12,16,19-21,26H,4-6,8,10-11,13-14H2,1-3H3/t16?,19?,20?,21?,24-/m0/s1
InChIKey
NUYXZZNRVPOMFS-HEYBVSAXSA-N
PubChem Compound ID
44407575
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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