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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL385957
CHEMBL385957
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H22ClN3O

Additional synonyms for CHEMBL385957 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCc1cc(N)c2cc(NC(=O)c3ccc(cc3)c4ccc(Cl)cc4)ccc2n1
Standard InChI InChI=1S/C25H22ClN3O/c1-2-3-20-15-23(27)22-14-21(12-13-24(22 ...
Download InChI
Standard InChI Key BZLBLJIDXKUVIY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL385957

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
415.9 415.1451 6.34 5 68.01 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 1 4 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.26 9.2 5.64 3.95 4 30 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL385957. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZLBLJIDXKUVIY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL385957



BindingDB 50193606
IBM Patent System F8F3EF470BF017AFEE0F72224647C4AF
PubChem 44417832
SureChEMBL SCHEMBL6202988
ZINC ZINC000038149819

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