Drug Information

Drug General Information
Drug ID
D0ND1C
Former ID
DNC006521
Drug Name
3-(1-carboxy-4-mercaptobutoxy)benzoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528194]
Structure
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2D MOL

3D MOL
Formula
C12H14O5S
Canonical SMILES
C1=CC(=CC(=C1)OC(CCCS)C(=O)O)C(=O)O
InChI
1S/C12H14O5S/c13-11(14)8-3-1-4-9(7-8)17-10(12(15)16)5-2-6-18/h1,3-4,7,10,18H,2,5-6H2,(H,13,14)(H,15,16)
InChIKey
KUHQPVJMGPHXPD-UHFFFAOYSA-N
PubChem Compound ID
9900104
Target and Pathway
Target(s) Glutamate carboxypeptidase II Target Info Inhibitor [528194]
KEGG Pathway Alanine, aspartate and glutamate metabolism
Metabolic pathways
Vitamin digestion and absorption
NetPath Pathway TCR Signaling Pathway
TNFalpha Signaling Pathway
Reactome Amino acid synthesis and interconversion (transamination)
WikiPathways One Carbon Metabolism
References
Ref 528194J Med Chem. 2006 May 18;49(10):2876-85.Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain.
Ref 528194J Med Chem. 2006 May 18;49(10):2876-85.Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain.

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