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
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

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Ontology (3)   
   KEGG BRITE (3)   
Pathway (3)   
   KEGG PATHWAY (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (18)   
   KEGG ORTHOLOGY (9)   
   KEGG GENES (9)   
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