Drug Information

Drug General Information
Drug ID
D08NFA
Former ID
DNC006167
Drug Name
N-(4'-methyl-piperazinyl) estradiol-16-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
Download
2D MOL

3D MOL
Formula
C24H34N2O3
Canonical SMILES
CC12CCC3C(C1CC(C2O)C(=O)N4CCN(CC4)C)CCC5=C3C=CC(=C5)O
InChI
1S/C24H34N2O3/c1-24-8-7-18-17-6-4-16(27)13-15(17)3-5-19(18)21(24)14-20(22(24)28)23(29)26-11-9-25(2)10-12-26/h4,6,13,18-22,27-28H,3,5,7-12,14H2,1-2H3/t18?,19?,20?,21?,22-,24-/m0/s1
InChIKey
VNXBDWUNAYPTRF-OOBULCBASA-N
PubChem Compound ID
44407682
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.