oxiglutatione

Ligand id: 6835

Name: oxiglutatione

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 10
Rotatable bonds 25
Topological polar surface area 368.24
Molecular weight 612.15
XLogP -6.62
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2008)-see Comment)
IUPAC Name
(2S)-2-amino-4-{[(1R)-2-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]disulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
International Nonproprietary Names
INN number INN
6698 oxiglutatione
Synonyms
glutathione disulfide | Navstel®
Database Links
CAS Registry No. 27025-41-8
ChEMBL Ligand CHEMBL1372
DrugBank Ligand DB03310
GtoPdb PubChem SID 178103441
PubChem CID 65359
RCSB PDB Ligand GDS
Search Google for chemical match using the InChIKey YPZRWBKMTBYPTK-BJDJZHNGSA-N
Search Google for chemicals with the same backbone YPZRWBKMTBYPTK
Search PubMed clinical trials oxiglutatione
Search PubMed titles oxiglutatione
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Search UniChem for chemical match using the InChIKey YPZRWBKMTBYPTK-BJDJZHNGSA-N
Search UniChem for chemicals with the same backbone YPZRWBKMTBYPTK
SynPHARM 78934 (in complex with glutathione-disulfide reductase)
Wikipedia Oxiglutatione
Comments
The approved drug in this case is Navstel®. Oxiglutatione is listed as the active ingredient. Inhibits glutathione reductase. Note that the chemical structure given by DrugBank has opposite stereochemistry to the INN record and the ChEMBL ligand mapped here.