Drug Information

Drug General Information
Drug ID
D0CX4E
Former ID
DNC014202
Drug Name
3-(3-Benzoyl-1H-pyrrol-1-yl)propanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530758]
Structure
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2D MOL

3D MOL
Formula
C14H13NO3
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CN(C=C2)CCC(=O)O
InChI
1S/C14H13NO3/c16-13(17)7-9-15-8-6-12(10-15)14(18)11-4-2-1-3-5-11/h1-6,8,10H,7,9H2,(H,16,17)
InChIKey
SZVSICYEXHCWBP-UHFFFAOYSA-N
PubChem Compound ID
46229306
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [530758]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathways
NetPath Pathway IL1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose Metabolism
WikiPathways Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin D
References
Ref 530758Bioorg Med Chem. 2010 Mar 15;18(6):2107-14. Epub 2010 Feb 11.Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case ofbioisosterism between a carboxylic acid moiety and that of a tetrazole.
Ref 530758Bioorg Med Chem. 2010 Mar 15;18(6):2107-14. Epub 2010 Feb 11.Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case ofbioisosterism between a carboxylic acid moiety and that of a tetrazole.

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