Drug Information

Drug General Information
Drug ID
D0T0CK
Former ID
DNC010980
Drug Name
3,4-Dimethoxy-4'-amino-trans-stilbene
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551225]
Structure
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2D MOL

3D MOL
Formula
C16H17NO2
Canonical SMILES
COC1=C(C=C(C=C1)C=CC2=CC=C(C=C2)N)OC
InChI
1S/C16H17NO2/c1-18-15-10-7-13(11-16(15)19-2)4-3-12-5-8-14(17)9-6-12/h3-11H,17H2,1-2H3/b4-3+
InChIKey
JZZHXIPQAWDZPC-ONEGZZNKSA-N
PubChem Compound ID
49799648
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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