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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL460831
CHEMBL460831
Compound Name
ChEMBL Synonyms Gamma-Glutamyl-Cysteine
Max Phase 0
Trade Names
Molecular Formula C8H14N2O5S

Additional synonyms for CHEMBL460831 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)O)C(=O)O
Standard InChI InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/ ...
Download InChI
Standard InChI Key RITKHVBHSGLULN-WHFBIAKZSA-N

Structural Alerts

There are 10 structural alerts for CHEMBL460831. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL460831

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
250.3 250.0623 -3.83 7 168.52 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.21 9.34 -1.17 -4.68 0 16 0.29

Compound Cross References

ChemSpider ChemSpider:RITKHVBHSGLULN-WHFBIAKZSA-N
Wikipedia Gamma-Glutamylcysteine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL460831



ACToR 636-58-8
ChEBI 17515
DrugBank DB03408
eMolecules 10137286
EPA CompTox Dashboard DTXSID90212978
FDA SRS M984VJS48P
Human Metabolome Database HMDB01049
IBM Patent System C128BC2DE2AD9D8359EFEB386DF47347
KEGG Ligand C00669
Nikkaji J40.069F
PDBe 3GC
PubChem 123938
PubChem: Thomson Pharma 14774306
SureChEMBL SCHEMBL121501

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