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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028922
CHEMBL2028922
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H31N5O4

Additional synonyms for CHEMBL2028922 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(=O)NCc2ccc ...
Download SMILES
Standard InChI InChI=1S/C24H31N5O4/c1-16(2)21(23(32)25-15-19-12-8-5-9-13-19 ...
Download InChI
Standard InChI Key PEGQWNGJSDVTNZ-SFTDATJTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2028922

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
453.5 453.2376 1.41 9 128.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 0 9 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.77 - 1.71 1.7 2 33 0.37

Structural Alerts

There are 8 structural alerts for CHEMBL2028922. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PEGQWNGJSDVTNZ-SFTDATJTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028922



BindingDB 50409591
PubChem 11113182
PubChem: Thomson Pharma 16187038
ZINC ZINC000013491224

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