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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL380051
CHEMBL380051
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H46N6O5

Additional synonyms for CHEMBL380051 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc2ccccc2)C(=O)N3C[C@ ...
Download SMILES
Standard InChI InChI=1S/C39H46N6O5/c1-26(46)43-35(21-28-14-17-33(47)18-15-2 ...
Download InChI
Standard InChI Key OJPUSZQXDWHXOL-BIOLIVNTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL380051

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
678.8 678.353 3.56 15 172.37 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 1 11 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.83 13.52 4.37 2.37 4 50 0.07

Structural Alerts

There are 5 structural alerts for CHEMBL380051. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJPUSZQXDWHXOL-BIOLIVNTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL380051



BindingDB 50191552
PubChem 11846844
ZINC ZINC000049778369

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