PROPAFENONE

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01BC03
UNII: 68IQX3T69U

Structure
InChI Key JWHAUXFOSRPERK-UHFFFAOYSA-N
Smile CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
InChI
InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27NO3
Molecular Weight 341.45
AlogP 3.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 58.56
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Primary Target
β1-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- 3292 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 4603.4 - - 12-25
Enzyme Hydrolase
- - - -
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 0
Ion channel Voltage-gated ion channel Cyclic nucleotide-regulated channel
- - - - 47.8
Ion channel Voltage-gated ion channel Potassium channels Inwardly rectifying potassium channel
- 2200 - - 46.4-60.6
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 4100-7600 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 440-2880 - - 44.1
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1800-1800 - - 60.2
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1190-3300 - - 93.4-97.1
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 2558 - 1416 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1637 - 187 -
Membrane receptor
- 1637 - 1097 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group E Nuclear hormone receptor subfamily 2 group E member 1
47000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1868 - 1484 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 11100-15540 - - 83.8
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
320-331.13 331.13 - 4200 -
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 2200 - - 89.6

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
Death, Sudden, Cardiac 3 D016757 ClinicalTrials
Ventricular Fibrillation 3 D014693 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 54063-53-5
ChEBI 63619
ChEMBL CHEMBL631
DrugBank DB01182
DrugCentral 2291
EPA CompTox DTXSID9045184
FDA SRS 68IQX3T69U
Human Metabolome Database HMDB0015313
Guide to Pharmacology 2561
KEGG C07381
PharmGKB PA451131
PubChem 4932
SureChEMBL SCHEMBL27865
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