Drug Information

Drug General Information
Drug ID
D0T9IK
Former ID
DNC004393
Drug Name
4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526231]
Formula
C15H15NO2
Canonical SMILES
COC1=CC(=CC(=C1)C=CC2=CC=NC=C2)OC
InChI
1S/C15H15NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h3-11H,1-2H3/b4-3+
InChIKey
HXJQPOSPRKZPGS-ONEGZZNKSA-N
PubChem Compound ID
11957947
Target and Pathway
Target(s) Cytochrome P450 1B1 Target Info Inhibitor [526231]
BioCyc Pathway Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation I
KEGG Pathway Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Ovarian steroidogenesis
Chemical carcinogenesis
MicroRNAs in cancer
NetPath Pathway TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Sulindac Metabolic Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
miR-targeted genes in adipocytes - TarBase
Phase 1 - Functionalization of compounds
References
Ref 526231J Med Chem. 2002 Jan 3;45(1):160-4.Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors.
Ref 526231J Med Chem. 2002 Jan 3;45(1):160-4.Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors.

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