Drug Information

Drug General Information
Drug ID
D0R3IN
Former ID
DNC014082
Drug Name
S-p-bromobenzyl glutatione
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530262]
Structure
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2D MOL

3D MOL
Formula
C17H22BrN3O6S
Canonical SMILES
C1=CC(=CC=C1CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)Br
InChI
1S/C17H22BrN3O6S/c18-11-3-1-10(2-4-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)6-5-12(19)17(26)27/h1-4,12-13H,5-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
InChIKey
HMNYAPVDRLKBJH-STQMWFEESA-N
PubChem Compound ID
97537
Target and Pathway
Target(s) Lactoylglutathione lyase Target Info Inhibitor [530262]
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 530262J Med Chem. 2009 Aug 13;52(15):4650-6.Inhibition of glyoxalase I: the first low-nanomolar tight-binding inhibitors.
Ref 530262J Med Chem. 2009 Aug 13;52(15):4650-6.Inhibition of glyoxalase I: the first low-nanomolar tight-binding inhibitors.

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