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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336215
CHEMBL2336215
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25ClN4O2

Additional synonyms for CHEMBL2336215 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Oc2c(C(=O)N3CCCCC3c4cccnc4)c(C)nn2C)c(Cl)c1
Standard InChI InChI=1S/C23H25ClN4O2/c1-15-9-10-20(18(24)13-15)30-23-21(16( ...
Download InChI
Standard InChI Key HPHQFQWTWYYJPY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336215

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
424.9 424.1666 5.25 4 60.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 5.68 5.67 3 30 0.57

Structural Alerts

There are no structural alerts for CHEMBL2336215

Compound Cross References

ChemSpider ChemSpider:HPHQFQWTWYYJPY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336215



BindingDB 50429145
PubChem 71561370
PubChem: Thomson Pharma 163561676

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