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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1818218
CHEMBL1818218
Compound Name
ChEMBL Synonyms PF-4840154
Max Phase 0
Trade Names
Molecular Formula C26H38N6O2

Additional synonyms for CHEMBL1818218 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CNc1nc(ncc1C(=O)NCc2ccccc2)N3CCN(CC4CCCOC4)CC3
Standard InChI InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3 ...
Download InChI
Standard InChI Key PPANZCQXFYBGHN-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1818218

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
466.6 466.3056 3.45 9 82.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.71 7.27 4.48 4.22 2 34 0.59

Structural Alerts

There are no structural alerts for CHEMBL1818218

Compound Cross References

ChemSpider ChemSpider:PPANZCQXFYBGHN-UHFFFAOYSA-N
Wikipedia PF-4840154

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1818218



BindingDB 50350947
Guide to Pharmacology 6309
PubChem 53380803
PubChem: Thomson Pharma 125303394
SureChEMBL SCHEMBL17185544

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