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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366563
CHEMBL366563
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12N2O4S2

Additional synonyms for CHEMBL366563 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(CSSCC(N)C(=O)O)C(=O)O
Standard InChI InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H ...
Download InChI
Standard InChI Key LEVWYRKDKASIDU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL366563

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
240.3 240.0238 -6 7 177.23 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.7 8.72 .77 -1.85 0 14 0.25

Structural Alerts

There are 12 structural alerts for CHEMBL366563. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LEVWYRKDKASIDU-UHFFFAOYSA-N
PubChem SID: 26757950 SID: 29216463
Wikipedia Cystine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366563



ACToR 56-89-3 923-32-0 24645-67-8
BindingDB 86199
Brenda 93274
ChEBI 17376 35492
eMolecules 496171
IBM Patent System 7F09A4C547F103F5F9D7A30310F20236
KEGG Ligand C01420
Mcule MCULE-2293704247
Metabolights MTBLC17376 MTBLC35492
MolPort MolPort-001-779-797
Nikkaji J1.319F
PubChem 595 24798687
PubChem: Thomson Pharma 15019707
SureChEMBL SCHEMBL10224

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