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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2028926
CHEMBL2028926
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H27N5O4

Additional synonyms for CHEMBL2028926 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(C)C
Standard InChI InChI=1S/C18H27N5O4/c1-11(2)15(17(26)19-4)21-18(27)23-22-16( ...
Download InChI
Standard InChI Key MFQBDBBPHYHDNA-GJZGRUSLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2028926

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
377.5 377.2063 -0.17 7 128.43 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 - .02 -.02 1 27 0.42

Structural Alerts

There are 8 structural alerts for CHEMBL2028926. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MFQBDBBPHYHDNA-GJZGRUSLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2028926



BindingDB 50409582
PubChem 11143333
PubChem: Thomson Pharma 16221247
ZINC ZINC000013491222

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