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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1372
CHEMBL1372
Compound Name OXIGLUTATIONE
ChEMBL Synonyms OXIGLUTATIONE | GLUTATHIONE DISULFIDE
Max Phase 4 (Approved)
Trade Names
Molecular Formula C20H32N6O12S2

Additional synonyms for CHEMBL1372 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O ...
Download SMILES
Standard InChI InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33) ...
Download InChI
Standard InChI Key YPZRWBKMTBYPTK-BJDJZHNGSA-N

Sources

  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1372

Molecule Features

CHEMBL1372 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutathione reductase Glutathione reductase DailyMed

Clinical Data

ClinicalTrials.gov OXIGLUTATIONE
The Cochrane Collaboration OXIGLUTATIONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
612.6 612.152 -9.39 21 368.23 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 10 3 18 12 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.91 9.59 -3.37 -8.38 0 40 0.04

Structural Alerts

There are 17 structural alerts for CHEMBL1372. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YPZRWBKMTBYPTK-BJDJZHNGSA-N
DailyMed oxiglutatione
PubChem SID: 144206973 SID: 26754399 SID: 29215201
Wikipedia Glutathione_disulfide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1372



ACToR 10421-65-5 27025-41-8
BindingDB 225231
Brenda 973 32241 164360 330 160466 1794 162154
ChEBI 17858
DrugBank DB03310
DrugCentral 5130
eMolecules 482701
EPA CompTox Dashboard DTXSID5048972
FDA SRS ULW86O013H
Guide to Pharmacology 6835
IBM Patent System E33E771FB39C20E3DAA57A5B16B3EC06
KEGG Ligand C00127
Metabolights MTBLC17858
MolPort MolPort-003-926-623
Nikkaji J415.688I
PDBe GDS
PubChem 11215652 65359
PubChem: Thomson Pharma 14838688 16298175 14789556
SureChEMBL SCHEMBL138746
ZINC ZINC000003870129

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YPZRWBKMTBYPTK-BJDJZHNGSA-N spacer
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