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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336234
CHEMBL2336234
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H24Cl2N4O2

Additional synonyms for CHEMBL2336234 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)N(Cc1cccnc1)C(=O)c2c(C)nn(C)c2Oc3cccc(Cl)c3Cl
Standard InChI InChI=1S/C22H24Cl2N4O2/c1-5-14(2)28(13-16-8-7-11-25-12-16)21 ...
Download InChI
Standard InChI Key QRKDKZKWZYMXRV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336234

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
447.4 446.1276 5.66 7 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
- 4.64 4.76 4.76 3 30 0.47

Structural Alerts

There are no structural alerts for CHEMBL2336234

Compound Cross References

ChemSpider ChemSpider:QRKDKZKWZYMXRV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336234



BindingDB 50429125
PubChem 71561882
PubChem: Thomson Pharma 163562221

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