Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04SZR
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| Former ID |
DNC006529
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| Drug Name |
4-(2-carboxy-5-mercaptopentyl)benzoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H16O4S
|
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| Canonical SMILES |
C1=CC(=CC=C1CC(CCCS)C(=O)O)C(=O)O
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| InChI |
1S/C13H16O4S/c14-12(15)10-5-3-9(4-6-10)8-11(13(16)17)2-1-7-18/h3-6,11,18H,1-2,7-8H2,(H,14,15)(H,16,17)
|
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| InChIKey |
WDVWCNCIBNEXCG-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Glutamate carboxypeptidase II | Target Info | Inhibitor | [1] | |
| 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 1 | J 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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