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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392926
CHEMBL2392926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H28Cl2N6

Additional synonyms for CHEMBL2392926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccc(cc2)C#N)c3ccccc3)c1Cl)c4ccc(Cl)c ...
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Standard InChI InChI=1S/C29H28Cl2N6/c1-20-27(31)29(37-28(36-20)25-15-14-24( ...
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Standard InChI Key PZULZLKLPURNST-SANMLTNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392926

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
531.5 530.1753 6.79 11 86.52 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.61 6.92 5.83 4 37 0.21

Structural Alerts

There are 2 structural alerts for CHEMBL2392926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PZULZLKLPURNST-SANMLTNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392926



BindingDB 50435190
PubChem 71602647
PubChem: Thomson Pharma 163683796
ZINC ZINC000096271209

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