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
54143-55-4; C07001; Flecainide
54143-55-4; D07962; Flecainide (INN)
54143-56-5; D00638; Flecainide acetate (JP16/USP); Tambocor (TN)
CPD000058451; Flecainide Acetate; SAM002548968
Flecainida [INN-Spanish];Flecainidum [INN-Latin]
flecainida; flecainide; flecainidum
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; acetic acid
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 | ↓ |
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 |
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 |
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 |
Description | Species |
---|---|
Interaction between L1 and Ankyrins | |
Voltage gated Potassium channels |
No pre-computed analogs available. Try a structural similarity search.