UCSF

ZINC00896543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 28 Yes

Popular Name: Flecainide Flecainide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 127413-31-4 , 54143-55-4 , 54143-56-5 , 57415-44-8 , 99495-87-1

Other Names:

(+-)-Flecainide; Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-; C17H20F6N2O3; CCRIS 313; Flecaine; Flecainida [INN-Spanish]; Flecainide; Flecainide Monoacetate; Flecainide [INN:BAN]; Flecainidum [INN-Latin]; LS-27388; N-(2-Piperidinyl

(+-)-flecainide; CCRIS 313; Flecaine; N-(2-Piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

2,5-Bis-(2,2,2-trifluoroethoxy)-N-(2-piperidinylmethyl)benzamide acetate; Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-, monoacetate; EINECS 258-997-5; Flecainide acetate; Flecainide acetate [USAN:JAN]; Flecainide monoacetate; LS-7398

54143-55-4; C07001; Flecainide

54143-55-4; D07962; Flecainide (INN)

54143-56-5; D00638; Flecainide acetate (JP16/USP); Tambocor (TN)

Almarytm

Apocard

BRD-A09472452-015-03-6

CHEBI:5090

CHEBI:76029

CPD000058451; Flecainide Acetate; SAM002548968

DNC000766

E-0735

Ecrinal

Flécaine

Flecaine

Flecainida [INN-Spanish]

Flecainida [INN-Spanish];Flecainidum [INN-Latin]

flecainida; flecainide; flecainidum

Flecainide (BAN

Flecainide Acetate

Flecainide-d3

Flecainidum [INN-Latin]

Ic Flecainide

INN); Flecainide Acetate (FDA

JAN

MFCD00214290

MFCD00864713

MFCD19982476

N-(Piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide hydrochloride

N-(Piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide monoacetate; R 818; R-818; flecainide monoacetate

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide; acetic acid

R-818

Tambocor

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) 4.25 7.54 -50.08 3 5 1 64 415.354 9 ↓

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 224 - 226 Enamine Building Blocks
MP 224...226 Enamine Building Blocks
ALOGPS_SOLUBILITY 3.24e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0077529A2; EP0219484A1; EP0224566A1; EP0242847A2; EP0242847B1; EP0261213A1; EP0261213B1; EP0263208A2; EP0265061A1; EP0265061B1; EP0265496A1; EP0265496B1; EP0290377A1; EP0290377B1; EP0306440A2; EP0324791A1; EP0324791B1; EP0371683A1; EP0371683B1; EP037660 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392055; 1 acetic acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392055; SALT: 1 acetic acid NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 5410 0.26 Binding ≤ 10μM
SCN5A-1-E Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 6500 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KCNH2_HUMAN Q12809 HERG, Human 3890.45145 0.27 Binding ≤ 10μM
SCN5A_HUMAN Q14524 Sodium Channel Protein Type V Alpha Subunit, Human 6500 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Interaction between L1 and Ankyrins
Voltage gated Potassium channels

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

No pre-computed analogs available. Try a structural similarity search.