Drug Information

Drug General Information
Drug ID
D0F8JO
Former ID
DNC007296
Drug Name
4-((+/-)-(1H-imidazol-1-yl)-(E)-retinoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527351]
Structure
Download
2D MOL

3D MOL
Formula
C23H30N2O2
Canonical SMILES
CC1=C(C(CCC1N2C=CN=C2)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI
1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
InChIKey
MRFBVQCSZMKBFY-UBFIAYEVSA-N
PubChem Compound ID
9951075
Target and Pathway
Target(s) Cytochrome P450 26 Target Info Inhibitor [527351]
KEGG Pathway Retinol metabolism
Metabolic pathways
PathWhiz Pathway Retinol Metabolism
WikiPathways Vitamin A and Carotenoid Metabolism
Metapathway biotransformation
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Adipogenesis
Phase 1 - Functionalization of compounds
References
Ref 527351J Med Chem. 2004 Dec 30;47(27):6716-29.Novel retinoic acid metabolism blocking agents endowed with multiple biological activities are efficient growth inhibitors of human breast and prostate cancer cells in vitro and a human breast tumor xenograft in nude mice.
Ref 527351J Med Chem. 2004 Dec 30;47(27):6716-29.Novel retinoic acid metabolism blocking agents endowed with multiple biological activities are efficient growth inhibitors of human breast and prostate cancer cells in vitro and a human breast tumor xenograft in nude mice.

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