Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00XKH
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| Former ID |
DNC004372
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| Drug Name |
S-(N-butyl-N-hydroxycarbamoyl)glutathione
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| Synonyms |
CHEMBL128447; S-(N-butyl-N-hydroxycarbamoyl)glutathione; SCHEMBL3281791; BDBM50092822
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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 |
C15H26N4O8S
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| Canonical SMILES |
CCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
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| InChI |
1S/C15H26N4O8S/c1-2-3-6-19(27)15(26)28-8-10(13(23)17-7-12(21)22)18-11(20)5-4-9(16)14(24)25/h9-10,27H,2-8,16H2,1H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/t9-,10-/m0/s1
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| InChIKey |
JHOFGABPPOTPEX-UWVGGRQHSA-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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