ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376185
CHEMBL376185
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H33ClN2O5S

Additional synonyms for CHEMBL376185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]2O[C@H](SC)[C@H] ...
Download SMILES
Standard InChI InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12( ...
Download InChI
Standard InChI Key KDLRVYVGXIQJDK-NOWPCOIGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL376185

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
425 424.1799 0.39 7 102.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 8.73 1.75 .7 0 27 0.44

Structural Alerts

There are 7 structural alerts for CHEMBL376185. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KDLRVYVGXIQJDK-NOWPCOIGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376185



ACToR 13441-63-9
ChEBI 3745
eMolecules 2749645
Human Metabolome Database HMDB0015321
IBM Patent System 5977C16FD0E3518235CD8C70BB9DDABB
KEGG Ligand C06914
LINCS LSM-45814
PharmGKB PA449035
PubChem 29029
PubChem: Thomson Pharma 14782772 14831902
SureChEMBL SCHEMBL537702

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