Drug Information

Drug General Information
Drug ID
D0Q9CI
Former ID
DNC006159
Drug Name
N-methoxyethyl estrone-16-methyl carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Formula
C23H31NO4
Canonical SMILES
CC12CCC3C(C1CC(C2=O)CC(=O)NCCOC)CCC4=C3C=CC(=C4)O
InChI
1S/C23H31NO4/c1-23-8-7-18-17-6-4-16(25)11-14(17)3-5-19(18)20(23)12-15(22(23)27)13-21(26)24-9-10-28-2/h4,6,11,15,18-20,25H,3,5,7-10,12-13H2,1-2H3,(H,24,26)/t15?,18?,19?,20?,23-/m0/s1
InChIKey
LQHCZQAKWAQLJZ-OOGUNDJRSA-N
PubChem Compound ID
44407742
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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