General Information of the Compound
Compound ID
CP0278751
Compound Name
BEPRIDIL HYDROCHLORIDE
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Synonyms
Bepadin
Bepadin (TN)
Bepridil
Bepridil (INN)
Beta-((2-Methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-1-pyrrolidineethanamine
CERM 1978
N-Benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]aniline hydrochloride
N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline
N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline
N-{3-[(2-methylpropyl)oxy]-2-pyrrolidin-1-ylpropyl}-N-(phenylmethyl)aniline
Vascor
Vascor (TN)
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Structure
Formula
C24H34N2O
Molecular Weight
366.549
Canonical SMILES
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
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InChI
InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
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InChIKey
UIEATEWHFDRYRU-UHFFFAOYSA-N
CAS
64706-54-3
Physicochemical Property
logP
4.8302
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
15.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2351
SID: 14755108
ChEMBL ID
CHEMBL1008
DrugBank ID
DB01244
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 12589.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 549.54 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 549.54 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 550 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
2
Ki = 184 nM
   TI
   LI
   LO
   TS
3
Ki = 291 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22.91 nM
2 IC50 = 430 nM
3 IC50 = 549.54 nM
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3700 nM
   TI
   LI
   LO
   TS
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1400 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Bepridil )
Drug Name Bepridil
Indication
Chronic/stable angina
Approved