Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X1DO
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| Former ID |
DNC006520
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| Drug Name |
3-[(1-carboxy-4-mercaptobutyl)thio]benzoic acid
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| Synonyms |
Thiol-Based Inhibitor, 26b; CHEMBL207288; SCHEMBL9965357; Benzoic acid, 3-[(1-carboxy-4-mercaptobutyl)thio]-; BDBM17776; 378242-58-1; 3-[(1-carboxy-4-sulfanylbutyl)sulfanyl]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 |
C12H14O4S2
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| Canonical SMILES |
C1=CC(=CC(=C1)SC(CCCS)C(=O)O)C(=O)O
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| InChI |
1S/C12H14O4S2/c13-11(14)8-3-1-4-9(7-8)18-10(12(15)16)5-2-6-17/h1,3-4,7,10,17H,2,5-6H2,(H,13,14)(H,15,16)
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| InChIKey |
QIPLUMAHVZVCQB-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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