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

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