| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 27 | Yes |
Popular Name: Bepridil hydrochloride Bepridil hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 64706-54-3 , 74764-40-2 , [64706-54-3]
1-Pyrrolidineethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-
64706-54-3; Bepadin (TN); Bepridil (INN); D07520
68099-86-5 (mono-hydrochloride)
68099-86-5; Bepridil hydrochloride; Prestwick_697
74764-40-2 (mono-hydrochloride, mono-hydrate)
74764-40-2; Bepridil hydrochloride (USAN); Bepridil hydrochloride hydrate (JAN); D00631; Vascor (TN)
Bepridil hydrochloride hydrate
bepridil hydrochloride monohydrate
beta-((2-Methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-1-pyrrolidineethanamine
INN); Bepridil Hydrochloride (FDA
MFCD0006549; 1-Isobutoxy-2-pyrrolidino-3-(N-benzylanilino)propane hydrochloride
N-Benzyl-N-(3-isobutoxy-2-(pyrrolidin-1-yl)propyl)aniline
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
N-Benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]aniline hydrochloride
N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline
N-{3-[(2-methylpropyl)oxy]-2-pyrrolidin-1-ylpropyl}-N-(phenylmethyl)aniline
| 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) | 4.97 | 14.18 | -37.2 | 1 | 3 | 1 | 17 | 367.557 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.55e-03 g/l | DrugBank-approved |
| therap | antiarrhythmic | MicroSource Spectrum |
| Therapy | Non-selective Ca2+ channel blocker which stimulates the binding of 1,4-dihydropyridine-based drugs to Ca2+ channels; ant | SMDC MicroSource |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 6260 | 0.27 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.32 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.32 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.32 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.32 | Binding ≤ 10μM |
| KCNH2-1-E | HERG (cluster #1 Of 2), Eukaryotic | Eukaryotes | 550 | 0.32 | Functional ≤ 10μM |
| LEF-1-B | Anthrax Lethal Factor (cluster #1 Of 2), Bacterial | Bacteria | 4800 | 0.28 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2500 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 184 | 0.35 | Binding ≤ 1μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 1μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 1μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 1μM |
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 4800 | 0.28 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 184 | 0.35 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 840 | 0.32 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 550 | 0.32 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2500 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins | |
| Uptake and function of anthrax toxins | |
| Voltage gated Potassium channels |
