Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0JX2S
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| Former ID |
DNC006524
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| Drug Name |
3-(2-carbamoyl-5-mercaptopentyl)benzoic acid
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| Synonyms |
Thiol-Based Inhibitor, 16; CHEMBL377648; CTK8A8852; BDBM17771; AKOS015965622; 3-[2-carbamoyl-2-(3-sulfanylpropyl)ethyl]benzoic acid; 3-(2-CARBAMOYL-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 |
C13H17NO3S
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| Canonical SMILES |
C1=CC(=CC(=C1)C(=O)O)CC(CCCS)C(=O)N
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| InChI |
1S/C13H17NO3S/c14-12(15)10(5-2-6-18)7-9-3-1-4-11(8-9)13(16)17/h1,3-4,8,10,18H,2,5-7H2,(H2,14,15)(H,16,17)
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| InChIKey |
KSGSHIYQUPDDPN-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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