TTD | Drug: D00RFY

Drug General Information
Drug ID	D00RFY
Former ID	DNC011122
Drug Name	DIOSMETIN
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531094]
Formula	C16H12O6
Canonical SMILES	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
InChI	1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChIKey	MBNGWHIJMBWFHU-UHFFFAOYSA-N
PubChem Compound ID	5281612
Target and Pathway
Target(s)	Cytochrome P450 1B1	Target Info	Inhibitor	[531094]
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 531094	Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 531094	Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.

Drug Information