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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395373
CHEMBL395373
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H32N8O3

Additional synonyms for CHEMBL395373 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)n2nc(Cn3ncnn3)c4CCN(C(=O)c24)c5ccc(cc5)c6ccccc6C ...
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Standard InChI InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(3 ...
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Standard InChI Key UAIGJMNMKWFEGL-AREMUKBSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL395373

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
576.7 576.2597 3.35 8 114.43 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.55 4.77 3.51 5 43 0.3

Structural Alerts

There are no structural alerts for CHEMBL395373

Compound Cross References

ChemSpider ChemSpider:UAIGJMNMKWFEGL-AREMUKBSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395373



BindingDB 19006
PubChem 23635260
PubChem: Thomson Pharma 46498196
ZINC ZINC000014969454

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