Drug Information

Drug General Information
Drug ID
D0YI5C
Former ID
DNC004367
Drug Name
S-(N-hexyl-N-hydroxycarbamoyl)glutathione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535065]
Structure
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2D MOL

3D MOL
Formula
C17H30N4O8S
Canonical SMILES
CCCCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
InChI
1S/C17H30N4O8S/c1-2-3-4-5-8-21(29)17(28)30-10-12(15(25)19-9-14(23)24)20-13(22)7-6-11(18)16(26)27/h11-12,29H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t11-,12-/m0/s1
InChIKey
VKRQPFKVQRNOCI-RYUDHWBXSA-N
PubChem Compound ID
10072462
Target and Pathway
Target(s) Lactoylglutathione lyase Target Info Inhibitor [535065]
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 535065Role 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.
Ref 535065Role 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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