Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01UKL
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| Former ID |
DNC004371
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| Drug Name |
S-(N-heptyl-N-hydroxycarbamoyl)glutathione
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| Synonyms |
CHEMBL128836; S-(N-heptyl-N-hydroxycarbamoyl)glutathione; BDBM50092831
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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 |
C18H32N4O8S
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| Canonical SMILES |
CCCCCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
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| InChI |
1S/C18H32N4O8S/c1-2-3-4-5-6-9-22(30)18(29)31-11-13(16(26)20-10-15(24)25)21-14(23)8-7-12(19)17(27)28/h12-13,30H,2-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-/m0/s1
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| InChIKey |
BRCVFVPDJZMQPO-STQMWFEESA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Lactoylglutathione lyase (GLO1) | Target Info | Inhibitor | [1] |
| BioCyc | Methylglyoxal degradation I | |||
| KEGG Pathway | Pyruvate metabolism | |||
| NetPath Pathway | TCR Signaling Pathway | |||
| Pathwhiz Pathway | Pyruvaldehyde Degradation | |||
| Pyruvate Metabolism | ||||
| Reactome | Pyruvate metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Role of hydrophobic interactions in binding S-(N-aryl/alkyl-N-hydroxycarbamoyl)glutathiones to the active site of the antitumor target enzyme glyoxalase I. J Med Chem. 2000 Oct 19;43(21):3981-6. | |||
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