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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392918
CHEMBL2392918
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H23Cl2N5

Additional synonyms for CHEMBL2392918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C25H23Cl2N5/c1-17-23(27)25(32-24(31-17)21-13-12-20( ...
Download InChI
Standard InChI Key ZQLCVGPHDBKVCL-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392918

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
464.4 463.1331 6.1 8 62.73 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.62 6.13 5.8 4 32 0.33

Structural Alerts

There are no structural alerts for CHEMBL2392918

Compound Cross References

ChemSpider ChemSpider:ZQLCVGPHDBKVCL-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392918



BindingDB 50435198
PubChem 71602530
PubChem: Thomson Pharma 163683654
ZINC ZINC000096271217

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