Drug Information

Drug General Information
Drug ID
D03OXL
Former ID
DNC004392
Drug Name
S-(N-propyl-N-hydroxycarbamoyl)glutathione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535065]
Structure
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2D MOL

3D MOL
Formula
C14H24N4O8S
Canonical SMILES
CCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
InChI
1S/C14H24N4O8S/c1-2-5-18(26)14(25)27-7-9(12(22)16-6-11(20)21)17-10(19)4-3-8(15)13(23)24/h8-9,26H,2-7,15H2,1H3,(H,16,22)(H,17,19)(H,20,21)(H,23,24)/t8-,9-/m0/s1
InChIKey
MWNYPJZEPXNOON-IUCAKERBSA-N
PubChem Compound ID
10740201
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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