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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3289039
CHEMBL3289039
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H29N5O3

Additional synonyms for CHEMBL3289039 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1CC[C@H](CC1)NC(=O)c2cc(Oc3ccc(N)cc3)cc(Oc4ccc(cc4)C( ...
Download SMILES
Standard InChI InChI=1S/C26H29N5O3/c27-18-3-7-20(8-4-18)31-26(32)17-13-23(3 ...
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Standard InChI Key JISOUTUOGFTGBI-KESTWPANSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3289039

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
459.6 459.227 4.14 7 149.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 8 8 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.98 11.62 2.57 -1.47 3 34 0.2

Structural Alerts

There are 9 structural alerts for CHEMBL3289039. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JISOUTUOGFTGBI-KESTWPANSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3289039



BindingDB 50017932
Brenda 200462

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