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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2443138
CHEMBL2443138
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H28N4O5

Additional synonyms for CHEMBL2443138 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2c3onc(c3)C(=O)NC4CCN(C)CC4)cc1
Standard InChI InChI=1S/C24H28N4O5/c1-27(2)16-4-6-18(7-5-16)32-21-13-17(29) ...
Download InChI
Standard InChI Key VUOFPKJWKCCHBI-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2443138

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
452.5 452.206 3.44 6 111.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.99 4.96 3.1 1.47 3 33 0.52

Structural Alerts

There are 1 structural alerts for CHEMBL2443138. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VUOFPKJWKCCHBI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2443138



BindingDB 50442759
IBM Patent System FD2D441194602939508B55797CE6F605
PubChem: Thomson Pharma 103054985
SureChEMBL SCHEMBL656797
ZINC ZINC000068247151

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