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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392931
CHEMBL2392931
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H28Cl2N6

Additional synonyms for CHEMBL2392931 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCn2cccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C26H28Cl2N6/c1-19-24(28)26(33-25(32-19)22-12-11-21( ...
Download InChI
Standard InChI Key KXVYPIFTGVUHIX-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392931

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
495.5 494.1753 6.18 11 67.66 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.4 6.5 5.6 4 34 0.24

Structural Alerts

There are 2 structural alerts for CHEMBL2392931. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KXVYPIFTGVUHIX-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392931



BindingDB 50435185
PubChem 71602695
PubChem: Thomson Pharma 163683862
ZINC ZINC000096271204

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