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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2419594
CHEMBL2419594
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H25ClN6O2

Additional synonyms for CHEMBL2419594 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c4cnc5c(Cl)c[nH]c5c4)NC(=O)c2n ...
Download SMILES
Standard InChI InChI=1S/C22H25ClN6O2/c1-21(2,3)29-12-14-9-22(26-19(30)17(14 ...
Download InChI
Standard InChI Key OGEMYMVKDPFQRH-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2419594

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
440.9 440.1728 3.13 1 95.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.54 4.02 2.81 2.81 3 31 0.61

Structural Alerts

There are no structural alerts for CHEMBL2419594

Compound Cross References

ChemSpider ChemSpider:OGEMYMVKDPFQRH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2419594



BindingDB 50439635
PubChem 73292555
ZINC ZINC000096283389

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