UCSF

ZINC01530760

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 25 Yes

Popular Name: Propafenone hydrochloride Propafenone hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107381-31-7 , 34183-22-7 , 34183-22-7, 54063-53-5 [p , 34183-22-7, 54063-53-5 [propafenone] , 54063-53-5 , [54063-53-5]

Other Names:

(R)-Propafenone

afenone

1-(2-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone

1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-1-propanone; 2-(2'-hydroxy-3'-propylaminopropoxy)-omega-phenylpropiophenone

1-(2-(2-Hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one hydrochloride; 1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-, hydrochloride; 2'-(2-Hydroxy-3-(propylamino)propoxy)-3-phenylpropiophenone hydrochloride; Baxarytmon

1-(2-(2-Hydroxy-3-propylaminopropoxy)phenyl)-3-phenylpropan-1-one

1-Propanone, 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenyl-

1-Propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-

1-[2-(2-Hydroxy-3-(propylamino)propoxy)phenyl]-3-phenyl-1-propanone hydrochloride

1-[2-(2-Hydroxy-3-[propylamino]- propoxy)phenyl]-3-phenyl-1-propanone

1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride

1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one

1-{2-[2-hydroxy-3-(propylamino)propoxy]phenyl}-3-phenylpropan-1-one hydrochloride

107300-59-4

34183-22-7 (hydrochloride)

34183-22-7; D00640; Propafenone hydrochloride (JP16/USP); Rythmol (TN)

423

54063-53-5

54063-53-5; C07381; Propafenone

54063-53-5; D08435; Propafenon hexal (TN); Propafenone (INN)

54063-53-5; Prestwick_831; Propafenone hydrochloride

AB00053687

AC1L1J9C

AKOS000276940

BCBcMAP01_000079

BPBio1_000437

BRD-A26334849-001-02-1

BRD-A26334849-003-05-0

BSPBio_000397

BSPBio_001465

BSPBio_003470

C07381

CHEBI:127112

CHEBI:8465

CHEMBL631

CID4932

CPD001453705

CPD001453705; Rythmol; SAM002564228

D08435

DAP000497

DB01182

DivK1c_000906

EINECS 258-955-6

GNF-PF-4594

HMS1791J07

HMS1989J07

HMS2089E09

IDI1_000906

INN); Propafenone HCl (FDA

INN); Propafenone Hydrochloride (FDA

JAN

KBio1_000906

KBio2_002092

KBio2_004660

KBio2_007228

KBio3_002974

KBioGR_000817

KBioSS_002092

LS-123071

MFCD00079243

MFCD00216020

MolPort-000-881-283

MolPort-002-545-323

NCGC00015819-10

NCGC00089784-02

NCGC00089784-03

NCGC00089784-04

NCGC00089784-05

NINDS_000906

P4670_SIGMA

Prestwick0_000499

Prestwick1_000499

Prestwick2_000499

Prestwick3_000499

Pronon

Propafenon Hexal

Propafenon hexal (TN)

Propafenona

Propafenona [INN-Spanish]

Propafenona [INN-Spanish];Propafenonum [INN-Latin]

propafenona; propafenone; propafenonum

Propafenone

Propafenone (BAN

Propafenone (INN)

Propafenone (Rytmonorm)

Propafenone HCl

Propafenone Hydrochloride

Propafenone [INN:BAN]

propafenone(1+)

Propafenone, HCl

Propafenone-HCl

Propafenonum

Propafenonum [INN-Latin]

Rythmol

Rythmol SR

Rythmol SR, Rytmonorm

RYTHYMOL

Rytmonorm

S2500_Selleck

SAM002564228

SBB067234

SPBio_001605

SPBio_002318

Spectrum2_001603

Spectrum3_001905

Spectrum4_000209

Spectrum5_001271

Spectrum_001612

UNII-68IQX3T69U

USAN

USAN)

USP

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 9.61 -45.97 3 4 1 63 342.459 11 ↓
Hi High (pH 8-9.5) 3.46 8.19 -12.18 2 4 0 59 341.451 11 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 5.089 Bitter DB
MP 174 - 176 Enamine Building Blocks
MP 174...176 Enamine Building Blocks
ALOGPS_SOLUBILITY 7.58e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Therapy antiarrhythmic SMDC Iconix
PUBCHEM_PATENT_ID EP0074014A1; EP0406327A1; EP0406327B1; EP0580860A1; EP0580860B1; EP0580861A1; EP0580861B1; EP0580862A1; EP0627218A1; EP0661045A1; EP0665009A1; EP0665009B1; EP0665010A1; EP0691843B1; EP0717988A1; EP0935523A1; US4460605; US4474986; US4954347; US5456923; US5 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-3097; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-3097; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Target Sodium Channel Selleck Chemicals

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 800 0.34 Binding ≤ 10μM
MDR1-1-E P-glycoprotein 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 4200 0.30 Binding ≤ 10μM
MDR1-1-E P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 320 0.36 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 316 0.36 Functional ≤ 10μM
Z80066-1-O CCRF-CEM/VCR-1000 (cluster #1 Of 1), Other Other 1080 0.33 Functional ≤ 10μM
Z80083-1-O CEM-VCR 1000 (cluster #1 Of 1), Other Other 260 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 800 0.34 Binding ≤ 1μM
MDR1_HUMAN P08183 P-glycoprotein 1, Human 329 0.36 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 800 0.34 Binding ≤ 10μM
MDR1_HUMAN P08183 P-glycoprotein 1, Human 329 0.36 Binding ≤ 10μM
Z80066 Z80066 CCRF-CEM/VCR-1000 1080 0.33 Functional ≤ 10μM
Z80083 Z80083 CEM-VCR 1000 260 0.37 Functional ≤ 10μM
MDR1_HUMAN P08183 P-glycoprotein 1, Human 320 0.36 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 0.23 0.54 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Abacavir transmembrane transport
ABC-family proteins mediated transport
Voltage gated Potassium channels

Analogs ( Draw Identity 99% 90% 80% 70% )