Drug Information

Drug General Information
Drug ID
D01UKL
Former ID
DNC004371
Drug Name
S-(N-heptyl-N-hydroxycarbamoyl)glutathione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535065]
Structure
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2D MOL

3D MOL
Formula
C18H32N4O8S
Canonical SMILES
CCCCCCCN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O
InChI
1S/C18H32N4O8S/c1-2-3-4-5-6-9-22(30)18(29)31-11-13(16(26)20-10-15(24)25)21-14(23)8-7-12(19)17(27)28/h12-13,30H,2-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13-/m0/s1
InChIKey
BRCVFVPDJZMQPO-STQMWFEESA-N
PubChem Compound ID
10367177
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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