Drug Information

Drug General Information
Drug ID
D08UWZ
Former ID
DNC010722
Drug Name
BMS-687453
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530777]
Structure
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2D MOL

3D MOL
Formula
C22H21ClN2O6
Canonical SMILES
CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)COC3=CC=CC(=C3)CN(CC(=O)O)<br />C(=O)OC
InChI
1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
InChIKey
UJIBXDMNCMEJAY-UHFFFAOYSA-N
PubChem Compound ID
16725047
Target and Pathway
Target(s) Peroxisome proliferator activated receptor alpha Target Info Inhibitor [530777]
KEGG Pathway PPAR signaling pathway
cAMP signaling pathway
Adipocytokine signaling pathway
Glucagon signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Hepatitis C
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor
Reactome RORA activates gene expression
BMAL1:CLOCK,NPAS2 activates circadian gene expression
PPARA activates gene expression
YAP1- and WWTR1 (TAZ)-stimulated gene expression
Transcriptional activation of mitochondrial biogenesis
Activation of gene expression by SREBF (SREBP)
Transcriptional regulation of white adipocyte differentiation
Nuclear Receptor transcription pathway
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Circadian Clock
WikiPathways Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
PPAR Alpha Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Transcriptional Regulation of White Adipocyte Differentiation
YAP1- and WWTR1 (TAZ)-stimulated gene expression
Activation of Gene Expression by SREBP (SREBF)
Adipogenesis
SREBF and miR33 in cholesterol and lipid homeostasis
Circadian Clock
Nuclear Receptors
References
Ref 530777J Med Chem. 2010 Apr 8;53(7):2854-64.Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).
Ref 530777J Med Chem. 2010 Apr 8;53(7):2854-64.Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).

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