UCSF

ZINC01530618

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 25 Yes

Other Names:

(+-)-alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide phosphate (1:1); 2-(1-(Ammoniocarbonyl)-3-(diisopropylammonio)-1-phenylpropyl)pyridinium phosphate; 2-Pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-, (+-)-,

2-Pyridineacetamide, .alpha.-[2-[bis(1-methylethyl)amino]ethyl]-.alpha.-phenyl-

2-Pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-

2-Pyridineacetamide, alpha-(2-(bis(1-methylethyl)amino)ethyl)-alpha-phenyl-; 2-Pyridineacetamide, alpha-(2-(diisopropylamino)ethyl)-alpha-phenyl-; Dicorantil; Disopiramida [INN-Spanish]; Disopyramide; Disopyramide [USAN:BAN:INN:JAN]; Disopyramidum [INN-La

2-Pyridineacetamide, alpha-(2-(diisopropylamino)ethyl)-alpha-phenyl-

22059-60-5 (phosphate (1:1))

22059-60-5; C07740; Disopyramide phosphate

22059-60-5; D00637; Disopyramide phosphate (JAN/USP); Norpace (TN)

3737-09-5

3737-09-5; Disopyramide; Prestwick_681

4-(diisopropylamino)-2-phenyl-2-pyridin-2-ylbutanamide

4-[di(propan-2-yl)amino]-2-phenyl-2-pyridin-2-ylbutanamide

54687-36-4 (mono-hydrochloride)

AB00053462

AC-16018

AC1L1F78

alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide

alpha-Diisopropylaminoethyl-alpha-phenylpyridine-2-acetamide

alpha-[2-[Bis(1-methylethyl)amino]ethyl]- alpha-phenyl-2-pyridine acetamide

BAN

BPBio1_000124

BRD-A29734509-001-03-8

BRD-A29734509-011-02-9

BSPBio_000112

BSPBio_001928

C06965

CHEBI:4657

CHEMBL517

CID3114

CPD000058438; Norpace; SAM002264607

D 7644

D00303

D7644_SIGMA

DAP000504

DB00280

Dicorantil

Disopiramida

Disopiramida [INN-Spanish]

Disopiramida [INN-Spanish];Disopyramide Free Base;Disopyramide Phosphate;Disopyramidum [INN-Latin]

disopiramida; disopyramide; disopyramidum

Disopyramid phosphate

Disopyramide

Disopyramide (BAN

Disopyramide (JP15/USAN/INN)

Disopyramide Free Base

Disopyramide [USAN:BAN:INN:JAN]

Disopyramide-d5

Disopyramide; alpha-(2-(Diisopropylamino)ethyl)-alpha-phenyl-2-pyridineacetamide; gamma-Diisopropylamino-alpha-phenyl-alpha-(2-pyridyl)butyramide

Disopyramidum

Disopyramidum [INN-Latin]

DivK1c_000489

EINECS 223-110-2

EU-0100402

FDA

gamma-Diisopropylamino-alpha-phenyl-alpha-(2-pyridyl)butyramide

H 3292

HMS1568F14

IDI1_000489

INN

Isorythm

JAN

KBio1_000489

KBio2_001488

KBio2_004056

KBio2_006624

KBio3_001148

KBioGR_001127

KBioSS_001488

Lispine

LS-185086

MFCD00057366

MFCD00069254

MFCD18711353

MLS002222242

MolPort-003-846-985

N/A

NCGC00015358-04

NCGC00015358-08

NCGC00015358-09

NCGC00093829-01

NCGC00093829-02

NCGC00093829-03

NINDS_000489

Norpace

Norpace CR

Prestwick0_000266

Prestwick1_000266

Prestwick2_000266

Prestwick3_000266

Prestwick_681

Ritmodan

Rythmodan

Rythmodan P

Rythmodan P (TN)

Rythmodan-La

SC 7031

SC-13957

SC-7031

SC-7031; SC-13957

Searle 703

SMR001307254

SPBio_001245

SPBio_002331

Spectrum2_001033

Spectrum3_000404

Spectrum4_000524

Spectrum5_000943

Spectrum_001008

ST50411970

UNII-GFO928U8MQ

USAN

USAN)

USAN); Disopyramide Phosphate (BAN

USAN); Disopyramide Phosphate (FDA

USP

USP)

Xi-Disopyramide

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) 2.78 8.24 -40.49 3 4 1 60 340.491 8
Hi High (pH 8-9.5) -1.21 -6.06 -16.4 6 11 0 175 438.47 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.93e-02 g/l DrugBank-approved
Indications antiarrhythmic KeyOrganics Bioactives
Patent Database Links EP1438962; EP1586349; EP1655286; EP1764111; EP1785145; EP1990639; US2002115655; US2004254182; US2005070552; US2007207222; US2007219221; US2007232536; US2007238674; US2007258894; WO2005018635; WO2007103687; WO2007112288; WO2007112581; WO2007117621 ChEBI
Therapy K+ channel modulator; anti-arrhythmic; cardiac depressant SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-8639; 1 Phosphoric acid NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-8639; SALT: 1 Phosphoric acid NIH Clinical Collection via PubChem

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 4040 0.30 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 10000 0.28 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 4500 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 4040 0.30 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 1500 0.33 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Voltage gated Potassium channels

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