KEGG   DRUG: Bepridil
Entry
D07520                      Drug                                   

Name
Bepridil (INN);
Bepadin (TN)
Formula
C24H34N2O
Exact mass
366.2671
Mol weight
366.5396
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Same as: C06847
ATC code: C08EA02
Chemical structure group: DG00333
Product (DG00333): D00631<JP>
Efficacy
Antiarrhythmic, Vasodilator (coronary), Calcium channel blocker, Sodium channel blocker, Potassium channel blocker
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
KCNH2 [HSA:3757] [KO:K04905]
KCNQ1 [HSA:3784] [KO:K04926]
KCNA5 [HSA:3741] [KO:K04878]
KCND3 [HSA:3752] [KO:K04893]
KCNJ3 [HSA:3760] [KO:K04997]
KCNJ5 [HSA:3762] [KO:K04999]
KCNJ8 [HSA:3764] [KO:K05001]
KCNJ11 [HSA:3767] [KO:K05004]
KCNJ12 [HSA:3768] [KO:K05005]
ATP1A [HSA:476 477 478 480] [KO:K01539]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07036  Calcium channel blocking drugs
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08E NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
    C08EA Phenylalkylamine derivatives
     C08EA02 Bepridil
      D07520  Bepridil (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D07520  Bepridil (INN)
    CACNA1-L
     D07520  Bepridil (INN)
   Potassium channels
    KCNA5
     D07520  Bepridil (INN)
    KCND3
     D07520  Bepridil (INN)
    KCNH2
     D07520  Bepridil (INN)
    KCNQ1
     D07520  Bepridil (INN)
   Inward rectifier channels (Kir)
    KCNJ3
     D07520  Bepridil (INN)
    KCNJ5
     D07520  Bepridil (INN)
    KCNJ8
     D07520  Bepridil (INN)
    KCNJ11
     D07520  Bepridil (INN)
    KCNJ12
     D07520  Bepridil (INN)
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D07520  Bepridil (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07520
Other DBs
CAS: 64706-54-3
PubChem: 51091843
ChEBI: 3061
ChEMBL: CHEMBL1008
LigandBox: D07520
NIKKAJI: J19.767J
LinkDB
KCF data

ATOM        27
            1   N1c N    20.2300  -19.0400
            2   C1b C    21.4200  -19.7400
            3   C1b C    19.0400  -19.7400
            4   C1c C    22.6800  -19.0400
            5   C8y C    17.8500  -19.0400
            6   N1y N    23.8700  -19.7400
            7   C1b C    22.6800  -17.6400
            8   C8x C    16.5900  -19.7400
            9   C8x C    17.8500  -17.6400
            10  C1x C    24.9900  -18.9000
            11  C1x C    24.2900  -21.0700
            12  O2a O    23.8700  -16.9400
            13  C8x C    15.4000  -19.0400
            14  C8x C    16.5900  -16.9400
            15  C1x C    26.1800  -19.7400
            16  C1x C    25.6900  -21.0700
            17  C1b C    25.0600  -17.6400
            18  C8x C    15.4000  -17.6400
            19  C1c C    26.3200  -16.9400
            20  C1a C    27.5100  -17.6400
            21  C1a C    26.3200  -15.5400
            22  C8y C    20.2300  -17.6400
            23  C8x C    21.4200  -16.9400
            24  C8x C    21.4200  -15.5400
            25  C8x C    20.2300  -14.8400
            26  C8x C    19.0400  -15.5400
            27  C8x C    19.0400  -16.9400
BOND        29
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 2
            18   17  19 1
            19   19  20 1
            20   19  21 1
            21   14  18 1
            22   15  16 1
            23    1  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1

» Japanese version   » Back

KEGG   DRUG: Bepridil hydrochloride
Entry
D00631                      Drug                                   

Name
Bepridil hydrochloride (USAN);
Bepridil hydrochloride hydrate (JAN);
Vascor (TN)
Formula
C24H34N2O. HCl. H2O
Exact mass
420.2544
Mol weight
421.0158
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01644  CYP2D6 substrate
 DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 2129
ATC code: C08EA02
Chemical structure group: DG00333
Product (DG00333): D00631<JP>
Efficacy
Antiarrhythmic, Vasodilator (coronary), Calcium channel blocker, Sodium channel blocker, Potassium channel blocker
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
KCNH2 [HSA:3757] [KO:K04905]
KCNQ1 [HSA:3784] [KO:K04926]
KCNA5 [HSA:3741] [KO:K04878]
KCND3 [HSA:3752] [KO:K04893]
KCNJ3 [HSA:3760] [KO:K04997]
KCNJ5 [HSA:3762] [KO:K04999]
KCNJ8 [HSA:3764] [KO:K05001]
KCNJ11 [HSA:3767] [KO:K05004]
KCNJ12 [HSA:3768] [KO:K05005]
ATP1A [HSA:476 477 478 480] [KO:K01539]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07036  Calcium channel blocking drugs
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08E NON-SELECTIVE CALCIUM CHANNEL BLOCKERS
    C08EA Phenylalkylamine derivatives
     C08EA02 Bepridil
      D00631  Bepridil hydrochloride (USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2129  Others
     D00631  Bepridil hydrochloride (USAN); Bepridil hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D00631  Bepridil hydrochloride (USAN) <JP>
    CACNA1-L
     D00631  Bepridil hydrochloride (USAN) <JP>
   Potassium channels
    KCNA5
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCND3
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNH2
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNQ1
     D00631  Bepridil hydrochloride (USAN) <JP>
   Inward rectifier channels (Kir)
    KCNJ3
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNJ5
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNJ8
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNJ11
     D00631  Bepridil hydrochloride (USAN) <JP>
    KCNJ12
     D00631  Bepridil hydrochloride (USAN) <JP>
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D00631  Bepridil hydrochloride (USAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00631
Other DBs
CAS: 74764-40-2
PubChem: 7847697
ChEBI: 52715
ChEMBL: CHEMBL1200382
DrugBank: DB01244
LigandBox: D00631
NIKKAJI: J395.749G
LinkDB
KCF data

ATOM        29
            1   N1c N    23.4624  -19.3400
            2   C1b C    24.6731  -20.0358
            3   C1b C    22.2518  -20.0418
            4   C1c C    25.8837  -19.3400
            5   C8y C    21.0411  -19.3400
            6   N1y N    27.1003  -20.0358
            7   C1b C    25.8837  -17.9363
            8   C8x C    19.8305  -20.0418
            9   C8x C    21.0411  -17.9421
            10  C1x C    28.2348  -19.2112
            11  C1x C    27.5330  -21.3693
            12  O2a O    27.0944  -17.2402
            13  C8x C    18.6141  -19.3400
            14  C8x C    19.8305  -17.2402
            15  C1x C    29.3695  -20.0358
            16  C1x C    28.9309  -21.3693
            17  C1b C    28.3108  -17.9363
            18  C8x C    18.6141  -17.9421
            19  C1c C    29.5214  -17.2345
            20  C1a C    30.7321  -17.9363
            21  C1a C    29.5214  -15.8367
            22  C8y C    23.4599  -17.9200
            23  C8x C    24.6637  -17.2222
            24  C8x C    24.6612  -15.8222
            25  C8x C    23.4475  -15.1243
            26  C8x C    22.2437  -15.8222
            27  C8x C    22.2462  -17.2222
            28  O0  O    36.0999  -19.7939
            29  X   Cl   33.2761  -19.7939
BOND        29
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 2
            18   17  19 1
            19   19  20 1
            20   19  21 1
            21   14  18 1
            22   15  16 1
            23    1  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1

» Japanese version   » Back

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