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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028923
CHEMBL2028923
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H33N5O4

Additional synonyms for CHEMBL2028923 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(C)C
Standard InChI InChI=1S/C21H33N5O4/c1-5-6-12-22-20(29)18(14(2)3)24-21(30)26 ...
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Standard InChI Key QPVPANRZAYZEBY-ROUUACIJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2028923

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
419.5 419.2533 1.01 10 128.43 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
10.79 - 1.55 1.53 1 30 0.29

Structural Alerts

There are 9 structural alerts for CHEMBL2028923. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPVPANRZAYZEBY-ROUUACIJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028923



BindingDB 50409596
PubChem 10938684
PubChem: Thomson Pharma 15991153
ZINC ZINC000013491223

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