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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392919
CHEMBL2392919
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H25Cl2N5

Additional synonyms for CHEMBL2392919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C26H25Cl2N5/c1-18-24(28)26(33-25(32-18)22-13-12-21( ...
Download InChI
Standard InChI Key XHEBRDAHHAOHLN-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392919

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
478.4 477.1487 6.14 9 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
- 8.29 6.74 5.93 4 33 0.3

Structural Alerts

There are no structural alerts for CHEMBL2392919

Compound Cross References

ChemSpider ChemSpider:XHEBRDAHHAOHLN-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392919



BindingDB 50435197
PubChem 71602531
PubChem: Thomson Pharma 163683655
ZINC ZINC000096271216

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