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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL652
CHEMBL652
Compound Name FLECAINIDE
ChEMBL Synonyms TAMBOCOR | FLECAINIDE | FLECAINIDE ACETATE
Max Phase 4 (Approved)
Trade Names TAMBOCOR | FLECAINIDE ACETATE
Molecular Formula C17H20F6N2O3

Additional synonyms for CHEMBL652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2
Standard InChI InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(2 ...
Download InChI
Standard InChI Key DJBNUMBKLMJRSA-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Orange Book
  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL652

Molecule Features

CHEMBL652 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel protein type V alpha subunit blocker Sodium channel protein type V alpha subunit PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Arrhythmias, CardiacD001145EFO:0004269cardiac arrhythmia4ATC
PainD010146EFO:0003843pain2ClinicalTrials
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov FLECAINIDE
The Cochrane Collaboration FLECAINIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL652. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.294

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.415

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
414.4 414.1378 3.44 7 59.59 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.69 3.19 1.05 1 28 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL652. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01B - ANTIARRHYTHMICS, CLASS I AND III
C01BC - Antiarrhythmics, class Ic
C01BC04 - flecainide

ChemSpider ChemSpider:DJBNUMBKLMJRSA-UHFFFAOYSA-N
DailyMed flecainide acetate
PubChem SID: 104171159 SID: 124880129 SID: 144203702 SID: 170464874 SID: 26752195
Wikipedia Flecainide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL652



ACToR 54143-55-4
BindingDB 50131434
ChEBI 75984
DrugBank DB01195
DrugCentral 1176
eMolecules 901891
EPA CompTox Dashboard DTXSID8023054
Guide to Pharmacology 2560
Human Metabolome Database HMDB0015326
IBM Patent System CEF71E5813F5AE2A6B278E9B476D2F7A
KEGG Ligand C07001
LINCS LSM-1297
Mcule MCULE-3327347453
MolPort MolPort-003-847-380
Nikkaji J12.413C J399.064H J399.065F
PharmGKB PA449646
PubChem 3356
PubChem: Thomson Pharma 14879920
SureChEMBL SCHEMBL14970

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