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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336220
CHEMBL2336220
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24N4O2

Additional synonyms for CHEMBL2336220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c(Oc2ccccc2)c1C(=O)N3CCCCC3c4cccnc4
Standard InChI InChI=1S/C22H24N4O2/c1-16-20(22(25(2)24-16)28-18-10-4-3-5-11 ...
Download InChI
Standard InChI Key JPMIRJARZDDPJF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336220

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
376.5 376.1899 4.28 4 60.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 4.89 4.88 3 28 0.68

Structural Alerts

There are no structural alerts for CHEMBL2336220

Compound Cross References

ChemSpider ChemSpider:JPMIRJARZDDPJF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336220



BindingDB 50429140
PubChem 71561502
PubChem: Thomson Pharma 163561811

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