KEGG   DRUG: DronedaroneHelp
Entry
D02537                      Drug                                   

Name
Dronedarone (INN)
Product
Formula
C31H44N2O5S
Exact mass
556.2971
Mol weight
556.7565
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Remark
ATC code: 
Chemical group: 
Activity
Antiarrhythmic
Comment
Class III antiarrhythmic agent
Amiodarone derivative
Indications: Atrial fibrillation, Atrial flutter, etc.
Dronedarone works by blocking potassium, sodium, and calcium channels.
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857];
KCND3 [HSA:3752] [KO:K04893];
KCNH2 [HSA:3757] [KO:K04905];
KCNQ1 [HSA:3784] [KO:K04926];
KCNJ3 [HSA:3760] [KO:K04997];
KCNJ5 [HSA:3762] [KO:K04999];
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRB1 [HSA:153] [KO:K04141]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cardiac muscle contraction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
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
      D02537  Dronedarone (INN)
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type
     Dronedarone
      D02537  Dronedarone (INN)
   K+ channel, KCND, Kv4.x (Shal)
    voltage-gated potassium channel (KCND3)
     Dronedarone
      D02537  Dronedarone (INN)
   K+ channel, KCNQ, Kv7.x (KQT-like)
    voltage-gated potassium channel (KCNQ1)
     Dronedarone
      D02537  Dronedarone (INN)
   K+ channel, KCNH, Kv10-12.x (Ether-a-go-go)
    voltage-gated potassium channel (KCNH2)
     Dronedarone
      D02537  Dronedarone (INN)
  Related to voltage-gated cation channels
   Inward rectifier channel (Kir)
    potassium inwardly-rectifying channel (KCNJ3)
     Dronedarone
      D02537  Dronedarone (INN)
    potassium inwardly-rectifying channel (KCNJ5)
     Dronedarone
      D02537  Dronedarone (INN)
    potassium inwardly-rectifying channel (KCNJ11)
     Dronedarone
      D02537  Dronedarone (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP3A
   Dronedarone
    D02537  Dronedarone (INN)
 CYP substrates
  CYP3A
   Dronedarone
    D02537  Dronedarone (INN)
 Transporter inhibitors
  ABCB1
   Dronedarone
    D02537  Dronedarone (INN)
BRITE hierarchy
Other DBs
CAS: 
141626-36-0
PubChem: 
ChEBI: 
ChEMBL: 
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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