Drug General Information
Drug ID	D0WK9Q
Former ID	DNC010987
Drug Name	4-(3,5-Dimethoxyphenethyl)benzenamine
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[551225]
Structure		Download 2D MOL 3D MOL
Formula	C16H19NO2
Canonical SMILES	COC1=CC(=CC(=C1)CCC2=CC=C(C=C2)N)OC
InChI	1S/C16H19NO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h5-11H,3-4,17H2,1-2H3
InChIKey	LIBKKCPPEBZEHD-UHFFFAOYSA-N
PubChem Compound ID	14256034
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 551225	Design, 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 551225	Design, 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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.