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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL214848
CHEMBL214848
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31F2N7O4

Additional synonyms for CHEMBL214848 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1 ...
Download SMILES
Standard InChI InChI=1S/C27H31F2N7O4/c1-3-36(9-10-37)8-5-11-40-23-15-21-18( ...
Download InChI
Standard InChI Key YOZAGBCKIMCHID-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL214848

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
555.6 555.2406 3.65 14 137.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.86 8.4 2.57 1.53 4 40 0.17

Structural Alerts

There are 2 structural alerts for CHEMBL214848. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YOZAGBCKIMCHID-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL214848



BindingDB 26294
IBM Patent System 268B42586E8AE0CAA170D33159509D25
PubChem 10239769
PubChem: Thomson Pharma 15241683
SureChEMBL SCHEMBL4292481
ZINC ZINC000034803035

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