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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143552
CHEMBL143552
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H21N5O3

Additional synonyms for CHEMBL143552 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(cc2C(=O)Nc3ccccc3)C(=O)NCc4cccnc4
Standard InChI InChI=1S/C24H21N5O3/c1-32-20-11-9-19(10-12-20)29-22(24(31)27 ...
Download InChI
Standard InChI Key ILYYIJZMBPMDID-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143552

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
427.5 427.1644 3.46 7 98.14 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.37 4.54 4.23 4.23 4 32 0.47

Structural Alerts

There are no structural alerts for CHEMBL143552

Compound Cross References

ChemSpider ChemSpider:ILYYIJZMBPMDID-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143552



BindingDB 50119485
Brenda 23023
PubChem 10938858
PubChem: Thomson Pharma 15991327
ZINC ZINC000013491665

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