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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1543
CHEMBL1543
Compound Name GLUTATHIONE
ChEMBL Synonyms GLUTATHIONE
Max Phase 3
Trade Names
Molecular Formula C10H17N3O6S

Additional synonyms for CHEMBL1543 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
Standard InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17) ...
Download InChI
Standard InChI Key RWSXRVCMGQZWBV-WDSKDSINSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1543

Molecule Features

CHEMBL1543 compound icon
Drug Type:Oligopeptide Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PARKINSON DISEASED010300EFO:0002508PARKINSON'S DISEASE2ClinicalTrials
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA2ClinicalTrials
HIV INFECTIONSD015658EFO:0000764HIV INFECTION2ClinicalTrials
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS3ClinicalTrials

Clinical Data

ClinicalTrials.gov GLUTATHIONE
The Cochrane Collaboration GLUTATHIONE

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
307.3 307.0838 -4.77 9 197.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 1 9 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.3 -1.65 -5.15 0 20 0.23

Structural Alerts

There are 10 structural alerts for CHEMBL1543. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V03 - ALL OTHER THERAPEUTIC PRODUCTS
V03A - ALL OTHER THERAPEUTIC PRODUCTS
V03AB - Antidotes
V03AB32 - glutathione

ChemSpider ChemSpider:RWSXRVCMGQZWBV-WDSKDSINSA-N
PubChem SID: 144204924 SID: 170465600
Wikipedia Glutathione

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1543



Atlas glutathione
BindingDB 50422268
Brenda 9169 28772 137653 93826 106196 142 106195 593 30735 153437 154427 44 62912 53702 93443 122594 123233 53708 20335
ChEBI 16856
DrugBank DB00143
DrugCentral 1312
eMolecules 515159
EPA CompTox Dashboard DTXSID6023101
FDA SRS GAN16C9B8O
Guide to Pharmacology 6737
Human Metabolome Database HMDB0000125
IBM Patent System D219458F7359C032DF4F2F1B6D831977
KEGG Ligand C02471 C00051
Mcule MCULE-3371744018
Metabolights MTBLC16856
Nikkaji J10.686K
PDBe GSH
PubChem 25246407 124886
PubChem: Thomson Pharma 14752011 16061344
SureChEMBL SCHEMBL9167
ZINC ZINC000003830891

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