Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04VFS
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| Former ID |
DNC006527
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| Drug Name |
3-(2-carboxy-4-mercaptobutyl)benzoic acid
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| Synonyms |
Thiol-Based Inhibitor, 7b; CHEMBL206078; BDBM17765; Benzenepropanoic acid, 3-carboxy-alpha-(2-mercaptoethyl)-; 378241-99-7; 3-[2-carboxy-2-(2-sulfanylethyl)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 |
C12H14O4S
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| Canonical SMILES |
C1=CC(=CC(=C1)C(=O)O)CC(CCS)C(=O)O
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| InChI |
1S/C12H14O4S/c13-11(14)9-3-1-2-8(6-9)7-10(4-5-17)12(15)16/h1-3,6,10,17H,4-5,7H2,(H,13,14)(H,15,16)
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| InChIKey |
NTMSKDFHMVZFMA-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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