KEGG   DRUG: Dronedarone
Entry
D02537                      Drug                                   
Name
Dronedarone (INN)
Formula
C31H44N2O5S
Exact mass
556.2971
Mol weight
556.7565
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG01456  Adrenergic receptor agonist
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
Remark
ATC code: C01BD07
Chemical structure group: DG00207
Product (DG00207): D03914<US>
Efficacy
Antiarrhythmic
Comment
Amiodarone derivative
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
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP3A [HSA:1576 1577 1551], CYP2D6 [HSA:1565]
Transporter inhibition: ABCB1 [HSA:5243]
Structure map
map07037  Antiarrhythmic drugs
map07231  Sodium channel blocking drugs
map07232  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)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00207  Dronedarone
     D02537  Dronedarone
  DG01456  Adrenergic receptor agonist
   DG00207  Dronedarone
    D02537  Dronedarone
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    DG00207  Dronedarone
     D02537  Dronedarone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00207  Dronedarone
    D02537  Dronedarone
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00207  Dronedarone
    D02537  Dronedarone
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00207  Dronedarone
    D02537  Dronedarone
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00207  Dronedarone
    D02537  Dronedarone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D02537  Dronedarone (INN)
    ADRB1
     D02537  Dronedarone (INN)
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D02537  Dronedarone (INN)
   Potassium channels
    KCND3
     D02537  Dronedarone (INN)
    KCNH2
     D02537  Dronedarone (INN)
    KCNQ1
     D02537  Dronedarone (INN)
   Inward rectifier channels (Kir)
    KCNJ3
     D02537  Dronedarone (INN)
    KCNJ5
     D02537  Dronedarone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02537
 Drug transporters
  D02537
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00207  Dronedarone
  DG01456  Adrenergic receptor agonist
   DG00207  Dronedarone
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    DG00207  Dronedarone
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00207  Dronedarone
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00207  Dronedarone
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00207  Dronedarone
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00207  Dronedarone
Other DBs
CAS: 141626-36-0
PubChem: 17396708
ChEBI: 50659
LigandBox: D02537
NIKKAJI: J631.227F
KCF data

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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Ontology (4)   
   KEGG BRITE (4)   
Pathway (3)   
   KEGG PATHWAY (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (26)   
   KEGG ORTHOLOGY (13)   
   KEGG GENES (13)   
All databases (38)   

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