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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374308
CHEMBL374308
Compound Name LACTACYSTIN
ChEMBL Synonyms Lactacystin
Max Phase 0
Trade Names
Molecular Formula C15H24N2O7S

Additional synonyms for CHEMBL374308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(=O ...
Download SMILES
Standard InChI InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)1 ...
Download InChI
Standard InChI Key DAQAKHDKYAWHCG-RWTHQLGUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL374308

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
376.4 376.1304 -0.89 8 178.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.11 - .09 -3.61 0 25 0.36

Structural Alerts

There are 6 structural alerts for CHEMBL374308. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DAQAKHDKYAWHCG-RWTHQLGUSA-N
PubChem SID: 26755779
Wikipedia Lactacystin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374308



BindingDB 50432548
Brenda 2107
ChEBI 52722
eMolecules 591391
IBM Patent System 68A49EC9886D91AE6BBA9156F036F1A3
MolPort MolPort-003-958-554
Nikkaji J363.724G
PubChem 6610292
PubChem: Thomson Pharma 14755668 14926836
SureChEMBL SCHEMBL18254
ZINC ZINC000013545968

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