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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL376379
CHEMBL376379
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17Cl2NO2

Additional synonyms for CHEMBL376379 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C2CCC1CC(C2)OC(=O)c3cc(Cl)cc(Cl)c3
Standard InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19) ...
Download InChI
Standard InChI Key MNJNPLVXBISNSX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL376379

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
314.2 313.0636 3.64 3 29.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.89 4.18 1.79 1 20 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL376379. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MNJNPLVXBISNSX-UHFFFAOYSA-N
PubChem SID: 104171256 SID: 26751816 SID: 50104509 SID: 50104510 SID: 85231277 SID: 90340594
Wikipedia Bemesetron

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL376379



BindingDB 50241143
ChEBI 91931
eMolecules 594615
IBM Patent System 288F2EEB72053E24BC0D53F8BA576896
LINCS LSM-1871
Mcule MCULE-7032473300
MolPort MolPort-001-954-162
Nikkaji J371.919G
PubChem 1683
PubChem: Thomson Pharma 14752355
SureChEMBL SCHEMBL5790539

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