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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL543741
CHEMBL543741
Compound Name
ChEMBL Synonyms BMY-7378
Max Phase 0
Trade Names
Molecular Formula C22H33Cl2N3O3

Additional synonyms for CHEMBL543741 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.COc1ccccc1N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2
Standard InChI InChI=1S/C22H31N3O3.2ClH/c1-28-19-7-3-2-6-18(19)24-13-10-23( ...
Download InChI
Standard InChI Key NIBOMXUDFLRHRV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL543741

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
385.5 385.2365 2.53 5 53.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.15 2.85 2.68 1 28 0.73

Structural Alerts

There are 3 structural alerts for CHEMBL543741. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NIBOMXUDFLRHRV-UHFFFAOYSA-N
PubChem SID: 50105948

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL543741



ACToR 21102-95-4
eMolecules 534927
EPA CompTox Dashboard DTXSID10175334
FDA SRS KC07KV8T5O
MolPort MolPort-003-940-399
PubChem 57517921 210172
PubChem: Thomson Pharma 14906891
Selleck bmy-7378
SureChEMBL SCHEMBL987183

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