BDBM50067133 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one::1-[2-(2-Hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one::1-[2-(2-Hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one (propafenone)::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::CHEMBL631::GNF-Pf-4594::PROPAFENONE::Rythmol

SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1

InChI Key InChIKey=JWHAUXFOSRPERK-UHFFFAOYSA-N

Data  1 KI  21 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50067133   

TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataKi:  4.20E+3nMAssay Description:Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 331nMAssay Description:Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysisMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 440nMAssay Description:Inhibition of hERG K channelMore data for this Ligand-Target Pair
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytesMore data for this Ligand-Target Pair
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Universit£ Clermont Auvergne

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currentsMore data for this Ligand-Target Pair
TargetPotassium channel subfamily K member 3(Homo sapiens (Human))
Universit£ Clermont Auvergne

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 5.10E+3nMAssay Description:Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currentsMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 2.88E+3nMAssay Description:Inhibition of human cloned ERG channel expressed in chinese hamster CHO cells after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as phasic inhibition after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assayMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataEC50:  320nMAssay Description:Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 800nMAssay Description:Inhibitory concentration against IKr potassium channelMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataEC50:  329nMAssay Description:Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assayMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.11E+4nMAssay Description:Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopyMore data for this Ligand-Target Pair
TargetLanosterol 14-alpha demethylase(Homo sapiens (Human))
ACT LLC

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assayMore data for this Ligand-Target Pair
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.55E+4nMAssay Description:Binding affinity in competition with [125I]NDP-MSH on recombinant melanocortin 4 receptorMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 5.37E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
St. Jude Children's Research Hospital

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.19E+3nMAssay Description:Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNAMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50067133(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show 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
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytesMore data for this Ligand-Target Pair