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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2419589
CHEMBL2419589
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H32N6O2

Additional synonyms for CHEMBL2419589 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc2ccc(cc2n1)C(=O)N3CCC4(CC3)Cc5cn(nc5C(=O)N4)C(C)(C ...
Download SMILES
Standard InChI InChI=1S/C26H32N6O2/c1-25(2,3)32-16-19-15-26(28-23(33)22(19) ...
Download InChI
Standard InChI Key UJIFQMYFKSXDML-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2419589

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
460.6 460.2587 3.21 2 83.36 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.8 5.79 3.5 3.49 3 34 0.64

Structural Alerts

There are no structural alerts for CHEMBL2419589

Compound Cross References

ChemSpider ChemSpider:UJIFQMYFKSXDML-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2419589



BindingDB 50439642
Nikkaji J3.341.134K
PubChem 67491705
SureChEMBL SCHEMBL2671833
ZINC ZINC000096283395

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