Drug General Information
Drug ID	D01IJX
Former ID	DNC008695
Drug Name	1-(2-(benzo[b]thiophen-4-yl)ethyl)-1H-imidazole
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[529860]
Structure		Download 2D MOL 3D MOL
Formula	C13H12N2S
Canonical SMILES	C1=CC(=C2C=CSC2=C1)CCN3C=CN=C3
InChI	1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2
InChIKey	ZEWHOUCPWZPPGK-UHFFFAOYSA-N
PubChem Compound ID	10537337
Target and Pathway
Target(s)	Cytochrome P450 19	Target Info	Inhibitor	[529860]
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 529860	J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.
Ref 529860	J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors.

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