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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215275
CHEMBL215275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32FN7O4

Additional synonyms for CHEMBL215275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1O ...
Download SMILES
Standard InChI InChI=1S/C27H32FN7O4/c1-3-35(9-10-36)8-5-11-39-24-16-22-21(1 ...
Download InChI
Standard InChI Key HOHHMYNNRAVKQB-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215275

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
537.6 537.25 3.51 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
12.92 8.4 2.9 1.86 4 39 0.18

Structural Alerts

There are 2 structural alerts for CHEMBL215275. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HOHHMYNNRAVKQB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215275



BindingDB 26292
IBM Patent System 5D1E3308DBF7BF0CF58361840E0E6997
PubChem 10239608
PubChem: Thomson Pharma 15241525
SureChEMBL SCHEMBL4290814
ZINC ZINC000034803020

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