Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| 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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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C13H15NO2S
|
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| Canonical SMILES |
C1=CC(=CC(=C1)CC(CCCS)C(=O)O)C#N
|
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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 | |||||
| Target(s) | Glutamate carboxypeptidase II | 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 | |||||
| REF 1 | J Med Chem. 2006 May 18;49(10):2876-85.Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain. | ||||
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