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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL379789
CHEMBL379789
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H33ClFN5

Additional synonyms for CHEMBL379789 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cc2[nH]c(CNC(C3CCN(CC3)C4CCCC4)c5ccc(cc5)c6cccc(c6)C#N)nc ...
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Standard InChI InChI=1S/C32H33ClFN5/c33-27-17-29-30(18-28(27)34)38-31(37-29 ...
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Standard InChI Key OKZJGDJSXQYNID-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL379789

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
542.1 541.2409 7.38 7 67.74 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.17 7.62 5.37 4 39 0.26

Structural Alerts

There are no structural alerts for CHEMBL379789

Compound Cross References

ChemSpider ChemSpider:OKZJGDJSXQYNID-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL379789



BindingDB 50186789
PubChem 11318709
PubChem: Thomson Pharma 16408029
SureChEMBL SCHEMBL12561085

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