Drug Information

Drug General Information
Drug ID
D0E3VR
Former ID
DNC004373
Drug Name
S-(N-pentyl-N-hydroxycarbamoyl)glutathione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535065]
Structure
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2D MOL

3D MOL
Formula
C16H28N4O8S
Canonical SMILES
CCCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
InChI
1S/C16H28N4O8S/c1-2-3-4-7-20(28)16(27)29-9-11(14(24)18-8-13(22)23)19-12(21)6-5-10(17)15(25)26/h10-11,28H,2-9,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)/t10-,11-/m0/s1
InChIKey
BRWDWFHRRYLIDE-QWRGUYRKSA-N
PubChem Compound ID
10574926
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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