KEGG   DRUG: Quinidine
Entry
D08458                      Drug                                   
Name
Quinidine (BAN);
Kinidin (TN)
Formula
C20H24N2O2
Exact mass
324.1838
Mol weight
324.4168
Structure
Simcomp
Source
Cinchona calisaya [TAX:153742], Cinchona succirubra, Cinchona calisaya
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Remark
Same as: C06527
ATC code: C01BA01
Chemical structure group: DG00192
Product (DG00192): D00642<US> D02272<JP/US>
Efficacy
Antiarrhythmic, Antimalarial, Sodium channel blocker
Comment
Cinchona lkaloid
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07025  Quinolines
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Other map
map04976  Bile secretion
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA01 Quinidine
      D08458  Quinidine (BAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
      D08458  Quinidine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D08458  Quinidine (BAN)
    SCN2A
     D08458  Quinidine (BAN)
    SCN3A
     D08458  Quinidine (BAN)
    SCN4A
     D08458  Quinidine (BAN)
    SCN5A
     D08458  Quinidine (BAN)
    SCN8A
     D08458  Quinidine (BAN)
    SCN9A
     D08458  Quinidine (BAN)
    SCN10A
     D08458  Quinidine (BAN)
    SCN11A
     D08458  Quinidine (BAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
Other DBs
CAS: 56-54-2
PubChem: 96025144
ChEBI: 182417 28593
PDB-CCD: QDN[PDBj]
LigandBox: D08458
NIKKAJI: J4.570E
LinkDB
KCF data

ATOM        24
            1   C8y C    25.2071  -26.8235
            2   C8y C    26.4637  -26.1254
            3   C8y C    25.2071  -28.2197
            4   C8x C    24.0203  -26.1254
            5   C1c C    26.4637  -24.7292
            6   C8x C    27.6505  -26.8235
            7   C8x C    24.0203  -28.9178
            8   N5x N    26.3939  -28.9178
            9   C8y C    22.7637  -26.8235
            10  C1y C    27.6505  -24.0311
            11  O1a O    25.2071  -24.0311
            12  C8x C    27.6505  -28.2197
            13  C8x C    22.7637  -28.2197
            14  O2a O    21.5769  -26.1254
            15  N1y N    29.1165  -23.1235
            16  C1x C    26.9524  -22.9839
            17  C1a C    21.5769  -24.7292
            18  C1x C    29.1165  -21.8669
            19  C1x C    30.5825  -23.9613
            20  C1y C    28.3486  -22.1462
            21  C1y C    28.3486  -21.1688
            22  C1x C    29.8844  -22.8443
            23  C2b C    27.7901  -19.8424
            24  C2a C    28.6976  -18.7254
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 2
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1 #Up
            23   23  24 2
            24    8  12 2
            25    9  13 1
            26   20  21 1
            27   20  22 1

» Japanese version   » Back

KEGG   DRUG: Quinidine gluconate
Entry
D00642                      Drug                                   
Name
Quinidine gluconate (USP);
Quinaglute (TN)
Product
  Generic
QUINIDINE GLUCONATE (Eywa Pharma), QUINIDINE GLUCONATE (Golden State Medical Supply), QUINIDINE GLUCONATE (Richmond Pharmaceuticals), QUINIDINE GLUCONATE (Sun Pharmaceutical Industries)
Formula
C20H24N2O2. C6H12O7
Exact mass
520.2421
Mol weight
520.572
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Remark
ATC code: C01BA01
Chemical structure group: DG00192
Product (DG00192): D00642<US> D02272<JP/US>
Efficacy
Antiarrhythmic, Sodium channel blocker
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07025  Quinolines
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA01 Quinidine
      D00642  Quinidine gluconate (USP) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class I
    Quinidine
     D00642  Quinidine gluconate (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
      D00642  Quinidine gluconate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   D00642  Quinidine gluconate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00642  Quinidine gluconate (USP) <US>
    SCN2A
     D00642  Quinidine gluconate (USP) <US>
    SCN3A
     D00642  Quinidine gluconate (USP) <US>
    SCN4A
     D00642  Quinidine gluconate (USP) <US>
    SCN5A
     D00642  Quinidine gluconate (USP) <US>
    SCN8A
     D00642  Quinidine gluconate (USP) <US>
    SCN9A
     D00642  Quinidine gluconate (USP) <US>
    SCN10A
     D00642  Quinidine gluconate (USP) <US>
    SCN11A
     D00642  Quinidine gluconate (USP) <US>
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00642
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
Other DBs
CAS: 7054-25-3
PubChem: 7847708
ChEBI: 27502
LigandBox: D00642
NIKKAJI: J231.528I
LinkDB
KCF data

ATOM        37
            1   C8y C    17.1259  -25.8770
            2   C8y C    18.3511  -25.1828
            3   C8y C    17.1200  -27.2832
            4   C8x C    15.9240  -25.1769
            5   C1c C    18.3568  -23.7825
            6   C8x C    19.5645  -25.8887
            7   C8x C    15.9240  -27.9891
            8   N5x N    18.3394  -27.9948
            9   C8y C    14.7046  -25.8770
            10  C1y C    19.5762  -23.0824
            11  O1a O    17.1374  -23.0707
            12  C8x C    19.5588  -27.2949
            13  C8x C    14.7046  -27.2832
            14  O2a O    13.4911  -25.1769
            15  N1y N    21.0115  -22.2073
            16  C1x C    18.8470  -22.0381
            17  C1a C    13.4911  -23.7766
            18  C1x C    21.0115  -20.9704
            19  C1x C    22.5109  -23.0124
            20  C1y C    20.2589  -21.2038
            21  C1y C    20.2647  -20.2178
            22  C1x C    21.8167  -21.9038
            23  C2b C    19.7280  -18.9109
            24  C2a C    20.5914  -17.8024
            25  C1c C    28.2753  -26.6350
            26  C1c C    27.0735  -25.9406
            27  C1c C    29.4887  -25.9406
            28  O1a O    28.2753  -28.0410
            29  C1c C    25.8598  -26.6350
            30  O1a O    27.0735  -24.5346
            31  C6a C    30.7024  -26.6350
            32  O1a O    29.4887  -24.5346
            33  C1b C    24.6464  -25.9406
            34  O1a O    25.8598  -28.0410
            35  O6a O    31.9158  -25.9406
            36  O6a O    30.7024  -28.0410
            37  O1a O    23.4327  -26.6350
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1 #Up
            23   23  24 2
            24    8  12 2
            25    9  13 2
            26   20  21 1
            27   20  22 1
            28   25  26 1
            29   25  27 1
            30   25  28 1 #Up
            31   26  29 1
            32   26  30 1 #Up
            33   27  31 1
            34   27  32 1 #Up
            35   29  33 1
            36   29  34 1 #Down
            37   31  35 1
            38   31  36 2
            39   33  37 1

» Japanese version   » Back

KEGG   DRUG: Quinidine polygalacturonate
Entry
D00643                      Drug                                   
Name
Quinidine polygalacturonate;
Cardioquin (TN)
Formula
C20H24N2O2. (C6H10O7)mon
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Remark
ATC code: C01BA01
Chemical structure group: DG00192
Product (DG00192): D00642<US> D02272<JP/US>
Efficacy
Antiarrhythmic, Sodium channel blocker
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07025  Quinolines
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA01 Quinidine
      D00643  Quinidine polygalacturonate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
      D00643  Quinidine polygalacturonate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00643  Quinidine polygalacturonate
    SCN2A
     D00643  Quinidine polygalacturonate
    SCN3A
     D00643  Quinidine polygalacturonate
    SCN4A
     D00643  Quinidine polygalacturonate
    SCN5A
     D00643  Quinidine polygalacturonate
    SCN8A
     D00643  Quinidine polygalacturonate
    SCN9A
     D00643  Quinidine polygalacturonate
    SCN10A
     D00643  Quinidine polygalacturonate
    SCN11A
     D00643  Quinidine polygalacturonate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
Other DBs
CAS: 27555-34-6
PubChem: 7847709
LigandBox: D00643
LinkDB
KCF data

ATOM        37
            1   C8y C    15.8200  -25.3400
            2   C8y C    17.0100  -24.6400
            3   C8y C    15.8200  -26.7400
            4   C8x C    14.5600  -24.6400
            5   C1c C    17.0100  -23.2400
            6   C8x C    18.2000  -25.3400
            7   C8x C    14.5600  -27.4400
            8   N5x N    17.0100  -27.4400
            9   C8y C    13.3700  -25.3400
            10  C1y C    18.2700  -22.5400
            11  O1a O    15.8200  -22.5400
            12  C8x C    18.2000  -26.7400
            13  C8x C    13.3700  -26.7400
            14  O2a O    12.1800  -24.6400
            15  N1y N    19.6700  -21.6300
            16  C1x C    17.5000  -21.4900
            17  C1a C    12.1800  -23.2400
            18  C1x C    19.6700  -20.4400
            19  C1x C    21.2100  -22.4700
            20  C1y C    18.9000  -20.6500
            21  C1y C    18.9000  -19.6700
            22  C1x C    20.5100  -21.3500
            23  C2b C    18.4100  -18.3400
            24  C2a C    19.2500  -17.2200
            25  C1c C    26.9500  -26.0400
            26  C1c C    25.7600  -25.4100
            27  C1c C    28.1400  -25.4100
            28  O1a O    26.9500  -27.5100
            29  C1c C    24.5000  -26.0400
            30  O1a O    25.7600  -23.9400
            31  C6a C    29.4000  -26.0400
            32  O1a O    28.1400  -23.9400
            33  C4a C    23.3100  -25.4100
            34  O1a O    24.5000  -27.5100
            35  O6a O    30.5900  -25.4100
            36  O6a O    29.4000  -27.5100
            37  O4a O    22.1200  -26.0400
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1
            19   16  20 1
            20   18  21 1
            21   19  22 1
            22   21  23 1 #Up
            23   23  24 2
            24    8  12 2
            25    9  13 2
            26   20  21 1
            27   20  22 1
            28   25  26 1
            29   25  27 1
            30   25  28 1 #Down
            31   26  29 1
            32   26  30 1 #Up
            33   27  31 1
            34   27  32 1 #Down
            35   29  33 1
            36   29  34 1 #Up
            37   31  35 1
            38   31  36 2
            39   33  37 2
BRACKET     1    21.4200  -28.5600   21.4200  -23.1000
            1    32.4800  -23.1000   32.4800  -28.5600
            1  MON
 ORIGINAL  1   26  27  28  29  30  31  32  33  34  35  36  37  38
 REPEAT    1

» Japanese version   » Back

KEGG   DRUG: Quinidine sulfate
Entry
D02272                      Drug                                   
Name
Quinidine sulfate (USP);
Quinidine sulfate hydrate (JP18);
Quinidex (TN)
Product
  Generic
QUINIDINE SULFATE (EPIC PHARMA), QUINIDINE SULFATE (Eon Labs)
Formula
(C20H24N2O2)2. H2SO4. 2H2O
Exact mass
782.3561
Mol weight
782.9426
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Remark
Therapeutic category: 2122
ATC code: C01BA01
Chemical structure group: DG00192
Product (DG00192): D00642<US> D02272<JP/US>
Product (mixture): D10208<US>
Efficacy
Antiarrhythmic, Sodium channel blocker
  Disease
Atrial fibrillation [DS:H00731]
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07025  Quinolines
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA01 Quinidine
      D02272  Quinidine sulfate (USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class I
    Quinidine
     D02272  Quinidine sulfate (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2122  Quinidines
     D02272  Quinidine sulfate (USP); Quinidine sulfate hydrate (JP18)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
      D02272  Quinidine sulfate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   D02272  Quinidine sulfate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN2A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN3A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN4A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN5A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN8A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN9A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN10A
     D02272  Quinidine sulfate (USP) <JP/US>
    SCN11A
     D02272  Quinidine sulfate (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02272  Quinidine sulfate hydrate
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02272
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
Other DBs
CAS: 6591-63-5
PubChem: 7849331
LigandBox: D02272
NIKKAJI: J2.223.647D
LinkDB
KCF data

ATOM        55
            1   C8y C    19.1695  -25.8213
            2   C8y C    20.3898  -25.1264
            3   C8y C    19.1636  -27.2226
            4   C8x C    17.9666  -25.1206
            5   C1c C    20.3956  -23.7251
            6   C8x C    21.6100  -25.8330
            7   C8x C    17.9666  -27.9291
            8   N5x N    20.3782  -27.9348
            9   C8y C    16.7463  -25.8213
            10  C1y C    21.6217  -23.0186
            11  O1a O    19.1812  -23.0070
            12  C8x C    21.6042  -27.2342
            13  C8x C    16.7463  -27.2226
            14  O2a O    15.5319  -25.1206
            15  N1y N    23.0581  -22.1429
            16  C1x C    20.8919  -21.9734
            17  C1a C    15.5319  -23.7193
            18  C1x C    23.0581  -20.9050
            19  C1x C    24.5586  -22.9485
            20  C1y C    22.3049  -21.1385
            21  C1y C    22.3107  -20.1518
            22  C1x C    23.8639  -21.8391
            23  C2b C    21.7736  -18.8497
            24  C2a C    22.6376  -17.7405
            25  S4a S    28.9727  -21.0527
            26  O1d O    30.3683  -21.0584
            27  O1d O    27.5773  -21.0527
            28  O1d O    28.9670  -22.4481
            29  O1d O    28.9670  -19.6514
            30  O0  O    29.7500  -25.6200
            31  C8y C    19.1695  -25.8213
            32  C8y C    20.3898  -25.1264
            33  C1c C    20.3956  -23.7251
            34  C1y C    21.6217  -23.0186
            35  N1y N    23.0581  -22.1429
            36  C1x C    23.0581  -20.9050
            37  C1y C    22.3107  -20.1518
            38  C2b C    21.7736  -18.8497
            39  C2a C    22.6376  -17.7405
            40  C1y C    22.3049  -21.1385
            41  C1x C    20.8919  -21.9734
            42  C1x C    23.8639  -21.8391
            43  C1x C    24.5586  -22.9485
            44  O1a O    19.1812  -23.0070
            45  C8x C    21.6100  -25.8330
            46  C8x C    21.6042  -27.2342
            47  N5x N    20.3782  -27.9348
            48  C8y C    19.1636  -27.2226
            49  C8x C    17.9666  -27.9291
            50  C8x C    16.7463  -27.2226
            51  C8y C    16.7463  -25.8213
            52  C8x C    17.9666  -25.1206
            53  O2a O    15.5319  -25.1206
            54  C1a C    15.5319  -23.7193
            55  O0  O    29.7500  -25.6200
BOND        58
            1    25  26 1
            2    25  27 1
            3    25  28 2
            4    25  29 2
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     2   5 1
            9     2   6 2
            10    3   7 2
            11    3   8 1
            12    4   9 1
            13    5  10 1
            14    5  11 1 #Down
            15    6  12 1
            16    7  13 1
            17    9  14 1
            18   10  15 1
            19   10  16 1
            20   14  17 1
            21   15  18 1
            22   15  19 1
            23   16  20 1
            24   18  21 1
            25   19  22 1
            26   21  23 1 #Up
            27   23  24 2
            28    8  12 2
            29    9  13 2
            30   20  21 1
            31   20  22 1
            32   31  32 1
            33   31  48 1
            34   31  52 2
            35   32  33 1
            36   32  45 2
            37   48  49 2
            38   48  47 1
            39   52  51 1
            40   33  34 1
            41   33  44 1 #Down
            42   45  46 1
            43   49  50 1
            44   51  53 1
            45   34  35 1
            46   34  41 1
            47   53  54 1
            48   35  36 1
            49   35  43 1
            50   41  40 1
            51   36  37 1
            52   43  42 1
            53   37  38 1 #Up
            54   38  39 2
            55   47  46 2
            56   51  50 2
            57   40  37 1
            58   40  42 1
BRACKET     1    14.7000  -28.9100   14.7000  -16.8700
            1    25.2700  -16.8700   25.2700  -28.9100
            1  2
 ORIGINAL  1    1   2   5  10  15  18  21  23  24  20  16  22  19  25  11   6
            1   12   8   3   7  13   9   4  14  17
 REPEAT    1   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            1   48  49  50  51  52  53  54  55  56
            2    27.5800  -26.5300   27.5800  -24.7800
            2    30.3800  -24.7800   30.3800  -26.5300
            2  2
 ORIGINAL  2   31
 REPEAT    2   57

» Japanese version   » Back

KEGG   DRUG: Quinidine phenylethylbarbiturate
Entry
D08459                      Drug                                   
Name
Quinidine phenylethylbarbiturate;
Quinidine 5-ethyl 5-phenyl barbiturate;
Natisedine (TN)
Formula
C20H24N2O2. C12H12N2O3
Exact mass
556.2686
Mol weight
556.652
Structure
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Remark
ATC code: C01BA01
Chemical structure group: DG00192
Product (DG00192): D00642<US> D02272<JP/US>
Efficacy
Antiarrhythmic, Antimalarial, Sodium channel blocker
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Interaction
Structure map
map07025  Quinolines
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA01 Quinidine
      D08459  Quinidine phenylethylbarbiturate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
      D08459  Quinidine phenylethylbarbiturate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D08459  Quinidine phenylethylbarbiturate
    SCN2A
     D08459  Quinidine phenylethylbarbiturate
    SCN3A
     D08459  Quinidine phenylethylbarbiturate
    SCN4A
     D08459  Quinidine phenylethylbarbiturate
    SCN5A
     D08459  Quinidine phenylethylbarbiturate
    SCN8A
     D08459  Quinidine phenylethylbarbiturate
    SCN9A
     D08459  Quinidine phenylethylbarbiturate
    SCN10A
     D08459  Quinidine phenylethylbarbiturate
    SCN11A
     D08459  Quinidine phenylethylbarbiturate
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
Other DBs
CAS: 1400-48-2
PubChem: 96025145
LigandBox: D08459
LinkDB
KCF data

ATOM        41
            1   C1z C    27.8054  -23.3458
            2   C8y C    28.9932  -22.6471
            3   C5x C    26.5478  -22.6471
            4   C5x C    27.8054  -24.7432
            5   C1b C    28.9932  -24.0445
            6   C8x C    30.1810  -23.2759
            7   C8x C    28.9932  -21.2497
            8   N1x N    25.3600  -23.3458
            9   O5x O    26.5478  -21.2497
            10  N1x N    26.5478  -25.4419
            11  O5x O    28.9932  -25.4419
            12  C1a C    30.3906  -24.0445
            13  C8x C    31.4386  -22.5772
            14  C8x C    30.1810  -20.4811
            15  C5x C    25.3600  -24.7432
            16  C8x C    31.4386  -21.1798
            17  O5x O    24.1722  -25.4419
            18  C8y C    17.6045  -25.9310
            19  C8y C    18.8621  -25.2323
            20  C8y C    17.6045  -27.3283
            21  C8x C    16.4167  -25.2323
            22  C1c C    18.8621  -23.8349
            23  C8x C    20.0499  -25.9310
            24  C8x C    16.4167  -28.0270
            25  N5x N    18.7923  -28.0270
            26  C8y C    15.1590  -25.9310
            27  C1y C    20.0499  -23.1362
            28  O1a O    17.6045  -23.1362
            29  C8x C    20.0499  -27.3283
            30  C8x C    15.1590  -27.3283
            31  O2a O    13.9713  -25.2323
            32  N1y N    21.5172  -22.2279
            33  C1x C    19.3512  -22.0881
            34  C1a C    13.9713  -23.8349
            35  C1x C    21.5172  -20.9702
            36  C1x C    22.9844  -23.0663
            37  C1y C    20.7486  -21.2497
            38  C1y C    20.7486  -20.2715
            39  C1x C    22.2857  -21.9484
            40  C2b C    20.1896  -18.9440
            41  C2a C    21.0979  -17.8261
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    8  15 1
            15   13  16 2
            16   15  17 2
            17   10  15 1
            18   14  16 1
            19   18  19 1
            20   18  20 1
            21   18  21 2
            22   19  22 1
            23   19  23 2
            24   20  24 2
            25   20  25 1
            26   21  26 1
            27   22  27 1
            28   22  28 1 #Down
            29   23  29 1
            30   24  30 1
            31   26  31 1
            32   27  32 1
            33   27  33 1
            34   31  34 1
            35   32  35 1
            36   32  36 1
            37   33  37 1
            38   35  38 1
            39   36  39 1
            40   38  40 1 #Up
            41   40  41 2
            42   25  29 2
            43   26  30 2
            44   37  38 1
            45   37  39 1

» Japanese version   » Back

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