Drug General Information
Drug ID
D0J9OG
Former ID
DNC004397
Drug Name
N-(2,4-Dimethoxy-phenyl)-3,5-dimethoxy-benzamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526231]
Formula
C17H19NO5
Canonical SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC)OC
InChI
1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
InChIKey
MEYNLPQFSDKAAL-UHFFFAOYSA-N
PubChem Compound ID
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 526231J 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 526231J 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.