PROPAFENONE HYDROCHLORIDE


Trade Names	PROPAFENONE HYDROCHLORIDE RYTHMOL RYTHMOL SR
Synonyms	Arythmol NSC-758640 Propafenone hcl Propafenone hydrochloride Rythmol Rythmol sr Rytmonorm
Status
Molecule Category	Salt-form
UNII	33XCH0HOCD
Parent Compound:	PROPAFENONE

Structure


InChI Key	XWIHRGFIPXWGEF-UHFFFAOYSA-N
Smiles	CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl
InChI	InChI=1S/C21H27NO3.ClH/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;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H28ClNO3
Molecular Weight	377.91
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

Mechanism of Action	Action	Reference
Beta-1 adrenergic receptor antagonist	ANTAGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	105.32-135.02

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	105.32-135.02
Plasmodium falciparum	-	0.23-316.23	-	-	-
Plasmodium falciparum 7G8	-	0.35-316.23	-	-	-
Plasmodium falciparum D10	-	1.78	-	-	-
Plasmodium falciparum HB3	-	0.93	-	-	-

Target Conservation


Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252












Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591











Protein: Sodium channel alpha subunit Description: Sodium channel protein type 1 subunit alpha Organism : Homo sapiens P35498 ENSG00000144285










Protein: Sodium channel alpha subunit Description: Sodium channel protein type 4 subunit alpha Organism : Homo sapiens P35499 ENSG00000007314












Protein: Sodium channel alpha subunit Description: Sodium channel protein type 5 subunit alpha Organism : Homo sapiens Q14524 ENSG00000183873








Protein: Sodium channel alpha subunit Description: Sodium channel protein type 9 subunit alpha Organism : Homo sapiens Q15858 ENSG00000169432







Protein: Sodium channel alpha subunit Description: Sodium channel protein type 2 subunit alpha Organism : Homo sapiens Q99250 ENSG00000136531










Protein: Sodium channel alpha subunit Description: Sodium channel protein type 3 subunit alpha Organism : Homo sapiens Q9NY46 ENSG00000153253









Protein: Sodium channel alpha subunit Description: Sodium channel protein type 11 subunit alpha Organism : Homo sapiens Q9UI33 ENSG00000168356







Protein: Sodium channel alpha subunit Description: Sodium channel protein type 8 subunit alpha Organism : Homo sapiens Q9UQD0 ENSG00000196876











Protein: Sodium channel alpha subunit Description: Sodium channel protein type 10 subunit alpha Organism : Homo sapiens Q9Y5Y9 ENSG00000185313

Cross References

Resources	Reference
ChEBI	8466
ChEMBL	CHEMBL1201063
FDA SRS	33XCH0HOCD
Guide to Pharmacology	2561
KEGG	C07381
PubChem	36708
SureChEMBL	SCHEMBL41412
ZINC	ZINC01530760

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