ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1760434
CHEMBL1760434
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H11F3N4O

Additional synonyms for CHEMBL1760434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1nc(cc2N(Cc3ccccc3)C(=O)Nc12)C(F)(F)F
Standard InChI InChI=1S/C14H11F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-1 ...
Download InChI
Standard InChI Key OQBWPSLLJDBFNI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1760434

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
308.3 308.0885 2.37 2 76.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 3.88 1.98 1.98 3 22 0.76

Structural Alerts

There are 1 structural alerts for CHEMBL1760434. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OQBWPSLLJDBFNI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1760434



BindingDB 50340234
IBM Patent System 2488B6430527EBB3E815530F1826D0CD
PubChem 24765332
PubChem: Drugs of the Future 136350024
PubChem: Thomson Pharma 49685314
SureChEMBL SCHEMBL2569145

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