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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483847
CHEMBL483847
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H13F3N4O2

Additional synonyms for CHEMBL483847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cccc(c1)c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2
Standard InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16 ...
Download InChI
Standard InChI Key WEVYNIUIFUYDGI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL483847

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
374.3 374.0991 3.88 5 90.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.16 2.16 2.16 3 27 0.71

Structural Alerts

There are no structural alerts for CHEMBL483847

Compound Cross References

ChemSpider ChemSpider:WEVYNIUIFUYDGI-UHFFFAOYSA-N
PubChem SID: 174006587 SID: 26731887

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483847



BindingDB 50325999
ChEBI 91337
eMolecules 6844047
EPA CompTox Dashboard DTXSID40228443
FDA SRS 6D7Q9Z2W7T
Guide to Pharmacology 5935
IBM Patent System 9E7E7CC4F24B442770A3C7102D06A274
LINCS LSM-1022
MolPort MolPort-023-277-175
Nikkaji J2.814.635C
PDBe STJ
PubChem 5311510
PubChem: Thomson Pharma 16465447
Selleck gnf-2
SureChEMBL SCHEMBL925002
ZINC ZINC000013130939

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