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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203427
CHEMBL2203427
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H36N6O3

Additional synonyms for CHEMBL2203427 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCC(Cc2ccc(nc2)C(=O)Nc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3) ...
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Standard InChI InChI=1S/C28H36N6O3/c1-5-34-14-12-19(13-15-34)16-20-6-11-23( ...
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Standard InChI Key NCPGPVUTWKUPPM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203427

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
504.6 504.2849 5.54 7 112.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 2 9 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.53 9.35 3.69 1.76 3 37 0.39

Structural Alerts

There are no structural alerts for CHEMBL2203427

Compound Cross References

ChemSpider ChemSpider:NCPGPVUTWKUPPM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203427



BindingDB 50400604
PubChem 54761162
PubChem: Thomson Pharma 131525270
SureChEMBL SCHEMBL1698604
ZINC ZINC000095563488

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