Drug Information
| Drug General Information | Top | |||
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| 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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| Synonyms |
Thiol-Based Inhibitor, 6d; SCHEMBL5051284; CHEMBL205399; BDBM17763; CTK8A8853; AKOS015966200; 4-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic acid; 4-(2-CARBOXY-5-MERCAPTO-PENTYL)-BENZOIC ACID
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| 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 | Top | |||
|---|---|---|---|---|
| Target(s) | Glutamate carboxypeptidase II (GCPII) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain. J Med Chem. 2006 May 18;49(10):2876-85. | |||
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