TTD | Drug: D0T9IK

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 526231	J 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 526231	J 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.

Drug Information