KEGG   DRUG: Dronedarone hydrochloride
Entry
D03914                      Drug                                   
Name
Dronedarone hydrochloride (USP);
Multaq (TN)
Product
Formula
C31H44N2O5S. HCl
Exact mass
592.2738
Mol weight
593.2174
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]
KCNJ11 [HSA:3767] [KO:K05004]
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
      D03914  Dronedarone hydrochloride (USP) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Vaughn Williams-Class III
    Dronedarone
     D03914  Dronedarone hydrochloride (USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00207  Dronedarone
     D03914  Dronedarone hydrochloride
  DG01456  Adrenergic receptor agonist
   DG00207  Dronedarone
    D03914  Dronedarone hydrochloride
  DG01653  Antiarrhythmics
   DG01648  Class III antiarrhythmic agent
    DG00207  Dronedarone
     D03914  Dronedarone hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG00207  Dronedarone
    D03914  Dronedarone hydrochloride
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG00207  Dronedarone
    D03914  Dronedarone hydrochloride
  DG02852  CYP3A/CYP3A4 inhibitor
   DG00207  Dronedarone
    D03914  Dronedarone hydrochloride
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00207  Dronedarone
    D03914  Dronedarone hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01653  Antiarrhythmics
   D03914  Dronedarone hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D03914  Dronedarone hydrochloride (USP) <US>
    ADRB1
     D03914  Dronedarone hydrochloride (USP) <US>
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D03914  Dronedarone hydrochloride (USP) <US>
   Potassium channels
    KCND3
     D03914  Dronedarone hydrochloride (USP) <US>
    KCNH2
     D03914  Dronedarone hydrochloride (USP) <US>
    KCNQ1
     D03914  Dronedarone hydrochloride (USP) <US>
   Inward rectifier channels (Kir)
    KCNJ3
     D03914  Dronedarone hydrochloride (USP) <US>
    KCNJ5
     D03914  Dronedarone hydrochloride (USP) <US>
    KCNJ11
     D03914  Dronedarone hydrochloride (USP) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D03914
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03914
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D03914
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03914
 Drug transporters
  D03914
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: 141625-93-6
PubChem: 17397988
LigandBox: D03914
LinkDB
KCF data

ATOM        40
            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
            40  X   Cl   36.3300  -18.7600
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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