Drug General Information
Drug ID	D0Z1AL
Former ID	DNC004394
Drug Name	2-[2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[526231]
Structure		Download 2D MOL 3D MOL
Formula	C14H14O2S
Canonical SMILES	COC1=CC(=CC(=C1)C=CC2=CC=CS2)OC
InChI	1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+
InChIKey	URRYDXXEGGXDQJ-AATRIKPKSA-N
PubChem Compound ID	9834747
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.

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