Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0I6JQ
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| Former ID |
DNC004360
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| Drug Name |
S-(N-4chlorophenyl-N-hydroxycarbamoyl)glutathione
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C17H21ClN4O8S
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| Canonical SMILES |
C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N<br />)O)Cl
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| InChI |
1S/C17H21ClN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1
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| InChIKey |
AJDQQFLYKZABLT-RYUDHWBXSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Lactoylglutathione lyase | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Methylglyoxal degradation I | ||||
| KEGG Pathway | Pyruvate metabolism | ||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| PathWhiz Pathway | Pyruvaldehyde Degradation | ||||
| Pyruvate Metabolism | |||||
| Reactome | Pyruvate metabolism | ||||
| References | |||||
| 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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