ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336237
CHEMBL2336237
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H22Cl2N4O3

Additional synonyms for CHEMBL2336237 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc3cccnc3)C4CCOC4
Standard InChI InChI=1S/C22H22Cl2N4O3/c1-14-19(22(27(2)26-14)31-18-7-3-6-17 ...
Download InChI
Standard InChI Key LSHNDUJGDHXRIW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336237

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
461.4 460.1069 4.65 6 69.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.58 3.18 3.18 3 31 0.53

Structural Alerts

There are no structural alerts for CHEMBL2336237

Compound Cross References

ChemSpider ChemSpider:LSHNDUJGDHXRIW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336237



BindingDB 50429122
PubChem 71561885
PubChem: Thomson Pharma 163562224

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