Drug Information

Drug General Information
Drug ID
D0K8VL
Former ID
DNC006160
Drug Name
N-(furan-2-ylmethyl)-estrone-16-methyl carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528033]
Structure
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2D MOL

3D MOL
Formula
C25H29NO4
Canonical SMILES
CC12CCC3C(C1CC(C2=O)CC(=O)NCC4=CC=CO4)CCC5=C3C=CC(=C5)O
InChI
1S/C25H29NO4/c1-25-9-8-20-19-7-5-17(27)11-15(19)4-6-21(20)22(25)12-16(24(25)29)13-23(28)26-14-18-3-2-10-30-18/h2-3,5,7,10-11,16,20-22,27H,4,6,8-9,12-14H2,1H3,(H,26,28)/t16?,20?,21?,22?,25-/m0/s1
InChIKey
NSHKXWHQUTUXRS-HIUOCNRYSA-N
PubChem Compound ID
44407578
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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