KEGG   DRUG: D02537Help
Entry
D02537                      Drug                                   
Name
Dronedarone (INN)
Product
Formula
C31H44N2O5S
Exact mass
556.2971
Mol weight
556.7565
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiarrhythmic
Remark
ATC code: 
Comment
Indications: Atrial fibrillation, Atrial flutter, etc.
Target
calcium channel L type blocker [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857];
voltage-gated potassium channel (KCND3) blocker [HSA:3752] [KO:K04893];
voltage-gated potassium channel (KCNH2) blocker [HSA:3757] [KO:K04905];
voltage-gated potassium channel (KCNQ1) blocker [HSA:3784] [KO:K04926];
potassium inwardly-rectifying channel (KCNJ3) [HSA:3760] [KO:K04997];
potassium inwardly-rectifying channel (KCNJ5) [HSA:3762] [KO:K04999];
potassium inwardly-rectifying channel (KCNJ11) [HSA:3767] [KO:K05004];
voltage-gated sodium channel blocker;
alpha1-adrenergic receptor agonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
beta1-adrenergic receptor agonist [HSA:153] [KO:K04141]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Enzyme: CYP3A [KO:K07424]
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Antiarrhythmic drugs
Sodium channel blocking drugs
Potassium channel blocking and opening drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BD Antiarrhythmics, class III
     C01BD07 Dronedarone
      D02537  Dronedarone (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Dronedarone
    D02537  Dronedarone (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
   K+ channel, KCND, Kv4.x (Shal)
    voltage-gated potassium channel (KCND3) [HSA:3752] [KO:K04893]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
   K+ channel, KCNQ, Kv7.x (KQT-like)
    voltage-gated potassium channel (KCNQ1) [HSA:3784] [KO:K04926]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
   K+ channel, KCNH, Kv10-12.x (Ether-a-go-go)
    voltage-gated potassium channel (KCNH2) [HSA:3757] [KO:K04905]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
  Related to voltage-gated cation channels
   Inward rectifier channel (Kir)
    potassium inwardly-rectifying channel (KCNJ3) [HSA:3760] [KO:K04997]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
    potassium inwardly-rectifying channel (KCNJ5) [HSA:3762] [KO:K04999]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
    potassium inwardly-rectifying channel (KCNJ11) [HSA:3767] [KO:K05004]
     Dronedarone [ATC:C01BD07]
      D02537  Dronedarone (INN)
BRITE hierarchy
Other DBs
CAS: 
141626-36-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        39
            1   C8y C    22.8367  -17.7635
            2   C8x C    22.8367  -19.1718
            3   C8x C    24.0563  -19.8760
            4   C8y C    25.2760  -19.1718
            5   C8y C    25.2760  -17.7635
            6   C8x C    24.0563  -17.0594
            7   O2x O    26.6154  -19.6070
            8   C8y C    27.4432  -18.4677
            9   C8y C    26.6154  -17.3284
            10  N1b N    21.6172  -17.0594
            11  S4a S    20.4146  -17.7539
            12  C1a C    19.1949  -18.4580
            13  O3c O    21.1296  -18.9929
            14  O3c O    19.7219  -16.5537
            15  C5a C    26.6154  -15.9201
            16  C8y C    27.8471  -15.2087
            17  O5a O    25.4191  -15.2294
            18  C1b C    28.8220  -18.4677
            19  C8x C    29.0672  -15.9128
            20  C8x C    30.2867  -15.2085
            21  C8y C    30.2863  -13.8002
            22  C8x C    29.0664  -13.0960
            23  C8x C    27.8468  -13.8004
            24  O2a O    31.5077  -13.0947
            25  C1b C    32.7291  -13.7996
            26  C1b C    33.9139  -13.1152
            27  C1b C    35.1174  -13.8099
            28  N1c N    36.3111  -13.1205
            29  C1b C    37.5100  -13.8127
            30  C1b C    38.7060  -13.1219
            31  C1b C    29.5262  -17.2481
            32  C1b C    30.9343  -17.2481
            33  C1a C    31.6289  -16.0454
            34  C1b C    36.3110  -11.7080
            35  C1b C    37.5118  -11.0146
            36  C1b C    38.7052  -11.7034
            37  C1a C    39.9039  -11.0110
            38  C1b C    39.9037  -13.8134
            39  C1a C    41.1003  -13.1223
BOND        41
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    1  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15   11  14 2
            16    9  15 1
            17   15  16 1
            18   15  17 2
            19    8  18 1
            20   16  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   16  23 1
            26   21  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   18  31 1
            34   31  32 1
            35   32  33 1
            36   28  34 1
            37   34  35 1
            38   35  36 1
            39   36  37 1
            40   30  38 1
            41   38  39 1

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