KEGG   DRUG: Quinidine
Entry
D08458                      Drug                                   
Name
Quinidine (BAN)
Formula
C20H24N2O2
Exact mass
324.1838
Mol weight
324.42
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
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
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
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    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 metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08458
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   DG01652  Class I antiarrhythmic agent
    DG01649  Class Ia antiarrhythmic agent
     DG00192  Quinidine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    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

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