ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028924
CHEMBL2028924
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N4O5

Additional synonyms for CHEMBL2028924 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)OCc2ccc ...
Download SMILES
Standard InChI InChI=1S/C24H30N4O5/c1-16(2)21(23(31)33-15-19-12-8-5-9-13-19 ...
Download InChI
Standard InChI Key CHDHLMQIRUVKRK-SFTDATJTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2028924

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
454.5 454.2216 1.83 9 125.63 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.81 - 2.31 2.3 2 33 0.34

Structural Alerts

There are 10 structural alerts for CHEMBL2028924. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CHDHLMQIRUVKRK-SFTDATJTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028924



BindingDB 50409594
PubChem 70683595
ZINC ZINC000013491221

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