KEGG   DRUG: Gallopamil
Entry
D08009                      Drug                                   
Name
Gallopamil (INN)
Formula
C28H40N2O5
Exact mass
484.2937
Mol weight
484.6276
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Remark
Same as: C13764
ATC code: C08DA02
Chemical structure group: DG00330
Efficacy
Vasodilator, Calcium channel blocker
Comment
Phenylalkylamine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DA Phenylalkylamine derivatives
     C08DA02 Gallopamil
      D08009  Gallopamil (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00330  Gallopamil
     D08009  Gallopamil
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00330  Gallopamil
     D08009  Gallopamil
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D08009  Gallopamil (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00330  Gallopamil
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00330  Gallopamil
Other DBs
CAS: 16662-47-8
PubChem: 96024702
ChEBI: 34772
LigandBox: D08009
NIKKAJI: J13.326D
LinkDB
KCF data

ATOM        35
            1   C1d C    20.5800  -16.5200
            2   C8y C    19.3200  -17.2200
            3   C1b C    21.7700  -17.2200
            4   C1c C    20.5800  -15.1200
            5   C8x C    18.1300  -16.5200
            6   C8x C    19.3200  -18.6200
            7   C1b C    22.9600  -16.5200
            8   C1a C    21.8400  -14.4200
            9   C1a C    19.3900  -14.4200
            10  C8y C    16.9400  -17.2200
            11  C8y C    18.1300  -19.3200
            12  C1b C    24.1500  -17.2200
            13  C8y C    16.9400  -18.6200
            14  O2a O    15.6800  -16.5200
            15  N1c N    25.4100  -16.5200
            16  O2a O    15.6800  -19.3200
            17  C1a C    14.4900  -17.2200
            18  C1b C    26.6000  -17.2200
            19  C1a C    25.4100  -15.1200
            20  C1a C    14.4900  -18.6200
            21  C1b C    27.8600  -16.5200
            22  C8y C    29.0500  -17.1500
            23  C8x C    30.2400  -16.4500
            24  C8x C    29.0500  -18.5500
            25  C8y C    31.4300  -17.1500
            26  C8x C    30.2400  -19.2500
            27  C8y C    31.4300  -18.5500
            28  O2a O    32.6900  -16.4500
            29  C1a C    33.8800  -17.1500
            30  O2a O    18.1300  -20.7200
            31  C1a C    16.9400  -21.4200
            32  O2a O    32.6900  -19.2500
            33  C1a C    33.8800  -18.5500
            34  C3b C    20.5800  -17.9200
            35  N3a N    20.5800  -19.3200
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 2
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   25  28 1
            28   28  29 1
            29   11  13 1
            30   26  27 2
            31   11  30 1
            32   30  31 1
            33   27  32 1
            34   32  33 1
            35    1  34 1
            36   34  35 3

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KEGG   DRUG: Gallopamil hydrochloride
Entry
D01969                      Drug                                   
Name
Gallopamil hydrochloride (JAN)
Formula
C28H40N2O5. HCl
Exact mass
520.2704
Mol weight
521.0885
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Remark
ATC code: C08DA02
Chemical structure group: DG00330
Efficacy
Vasodilator, Calcium channel blocker
Comment
Phenylalkylamine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08D SELECTIVE CALCIUM CHANNEL BLOCKERS WITH DIRECT CARDIAC EFFECTS
    C08DA Phenylalkylamine derivatives
     C08DA02 Gallopamil
      D01969  Gallopamil hydrochloride (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00330  Gallopamil
     D01969  Gallopamil hydrochloride
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00330  Gallopamil
     D01969  Gallopamil hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01969  Gallopamil hydrochloride (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00330  Gallopamil
  DG01653  Antiarrhythmics
   DG01807  Phenylalkylamine derivative
    DG00330  Gallopamil
Other DBs
CAS: 16662-46-7
PubChem: 7849031
LigandBox: D01969
NIKKAJI: J321.131B
LinkDB
KCF data

ATOM        36
            1   X   Cl   42.9747  -15.6430
            2   C1d C    32.1300  -11.2700
            3   C8y C    30.8700  -11.9700
            4   C1b C    33.3200  -11.9700
            5   C1c C    32.1300   -9.8700
            6   C8x C    29.6800  -11.2700
            7   C8x C    30.8700  -13.3700
            8   C1b C    34.5100  -11.2700
            9   C1a C    33.3900   -9.1700
            10  C1a C    30.9400   -9.1700
            11  C8y C    28.4900  -11.9700
            12  C8y C    29.6800  -14.0700
            13  C1b C    35.7000  -11.9700
            14  C8y C    28.4900  -13.3700
            15  O2a O    27.2300  -11.2700
            16  N1c N    36.9600  -11.2700
            17  O2a O    27.2300  -14.0700
            18  C1a C    26.0400  -11.9700
            19  C1b C    38.1500  -11.9700
            20  C1a C    36.9600   -9.8700
            21  C1a C    26.0400  -13.3700
            22  C1b C    39.4100  -11.2700
            23  C8y C    40.6000  -11.9000
            24  C8x C    41.7900  -11.2000
            25  C8x C    40.6000  -13.3000
            26  C8y C    42.9800  -11.9000
            27  C8x C    41.7900  -14.0000
            28  C8y C    42.9800  -13.3000
            29  O2a O    44.2400  -11.2000
            30  C1a C    45.4300  -11.9000
            31  O2a O    29.6800  -15.4700
            32  C1a C    28.4900  -16.1700
            33  O2a O    44.2400  -14.0000
            34  C1a C    45.4300  -13.3000
            35  C3b C    32.1300  -12.6700
            36  N3a N    32.1300  -14.0700
BOND        36
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 2
            5     3   7 1
            6     4   8 1
            7     5   9 1
            8     5  10 1
            9     6  11 1
            10    7  12 2
            11    8  13 1
            12   11  14 2
            13   11  15 1
            14   13  16 1
            15   14  17 1
            16   15  18 1
            17   16  19 1
            18   16  20 1
            19   17  21 1
            20   19  22 1
            21   22  23 1
            22   23  24 1
            23   23  25 2
            24   24  26 2
            25   25  27 1
            26   26  28 1
            27   26  29 1
            28   29  30 1
            29   12  14 1
            30   27  28 2
            31   12  31 1
            32   31  32 1
            33   28  33 1
            34   33  34 1
            35    2  35 1
            36   35  36 3

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