Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0E3OH
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| Former ID |
DNC006522
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| Drug Name |
2-(3-cyanobenzyl)-5-mercaptopentanoic acid
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| Synonyms |
Thiol-Based Inhibitor, 22; CHEMBL207899; BDBM17774; 2-[(3-cyanophenyl)methyl]-5-sulfanylpentanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C13H15NO2S
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| Canonical SMILES |
C1=CC(=CC(=C1)C#N)CC(CCCS)C(=O)O
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| InChI |
1S/C13H15NO2S/c14-9-11-4-1-3-10(7-11)8-12(13(15)16)5-2-6-17/h1,3-4,7,12,17H,2,5-6,8H2,(H,15,16)
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| InChIKey |
PCFBGUNMCCWACH-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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