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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031160
CHEMBL2031160
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H25Cl2N3O4

Additional synonyms for CHEMBL2031160 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccc3CCCNc3n2)cc1)NC(=O)c4c(Cl)cccc4C ...
Download SMILES
Standard InChI InChI=1S/C26H25Cl2N3O4/c27-20-4-1-5-21(28)23(20)25(32)31-22( ...
Download InChI
Standard InChI Key XUISHROIRBHOIM-QFIPXVFZSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031160

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
514.4 513.1222 4.79 9 100.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 7 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3 6.76 4.41 1.29 3 35 0.38

Structural Alerts

There are no structural alerts for CHEMBL2031160

Compound Cross References

ChemSpider ChemSpider:XUISHROIRBHOIM-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031160



BindingDB 50383861
IBM Patent System 0832F1F1C91E942E20028EC8A85A0B21
PubChem 24864721
PubChem: Thomson Pharma 50097400
SureChEMBL SCHEMBL4241327
ZINC ZINC000084671166

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