Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03RMT
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| Former ID |
DNC006526
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| Drug Name |
3-(2-carboxy-6-mercaptohexyl)benzoic acid
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| Synonyms |
Thiol-Based Inhibitor, 7c; CHEMBL204412; BDBM17766; 3-[2-carboxy-2-(4-sulfanylbutyl)ethyl]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 |
C14H18O4S
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| Canonical SMILES |
C1=CC(=CC(=C1)C(=O)O)CC(CCCCS)C(=O)O
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| InChI |
1S/C14H18O4S/c15-13(16)11(5-1-2-7-19)8-10-4-3-6-12(9-10)14(17)18/h3-4,6,9,11,19H,1-2,5,7-8H2,(H,15,16)(H,17,18)
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| InChIKey |
NHGYNJPSUMLAJY-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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