Drug Information

Drug General Information
Drug ID
D07VYX
Former ID
DNC007295
Drug Name
4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527351]
Structure
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2D MOL

3D MOL
Formula
C24H32N2O2
Canonical SMILES
CC1=C(C(CCC1N2C=CN=C2)(C)C)C=CC(=CC=CC(=CC(=O)OC)C)C
InChI
1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
InChIKey
LEOKNFOQHCUMCU-PFLBVIONSA-N
PubChem Compound ID
10786043
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.

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