Drug Information

Drug General Information
Drug ID
D0S7VY
Former ID
DNC010993
Drug Name
3,5-Diacetoxy-4'-amino-trans-stilbene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551225]
Formula
C18H17NO4
Canonical SMILES
CC(=O)OC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)N)OC(=O)C
InChI
1S/C18H17NO4/c1-12(20)22-17-9-15(10-18(11-17)23-13(2)21)4-3-14-5-7-16(19)8-6-14/h3-11H,19H2,1-2H3/b4-3+
InChIKey
QERWBDJMMUMFOT-ONEGZZNKSA-N
PubChem Compound ID
49798801
Target and Pathway
Target(s) Cytochrome P450 19 Target Info Inhibitor [551225]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
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 Endogenous sterols
WikiPathways Metapathway biotransformation
Tryptophan metabolism
Oxidation by Cytochrome P450
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compounds
References
Ref 551225Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66. doi: 10.1016/j.bmc.2010.05.042. Epub 2010 May 24.
Ref 551225Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66. doi: 10.1016/j.bmc.2010.05.042. Epub 2010 May 24.

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