KEGG   DRUG: AmiodaroneHelp
Entry
D02910                      Drug                                   

Name
Amiodarone (USAN/INN)
Formula
C25H29I2NO3
Exact mass
645.0237
Mol weight
645.3116
Structure
Mol fileKCF fileDB search
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
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C06823
ATC code: C01BD01
Chemical structure group: DG00204
Product (DG00204): D00636<JP/US>
Efficacy
Antiarrhythmic, Potassium channel blocker
Target
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]
KCNJ8 [HSA:3764] [KO:K05001]
KCNJ11 [HSA:3767] [KO:K05004]
KCNJ12 [HSA:3768] [KO:K05005]
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRB1 [HSA:153] [KO:K04141]
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
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
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
     C01BD01 Amiodarone
      D02910  Amiodarone (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Antiarrhythmics
   Amiodarone
    D02910  Amiodarone (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D02910  Amiodarone (USAN/INN)
    ADRB1
     D02910  Amiodarone (USAN/INN)
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D02910  Amiodarone (USAN/INN)
    SCN2A
     D02910  Amiodarone (USAN/INN)
    SCN3A
     D02910  Amiodarone (USAN/INN)
    SCN4A
     D02910  Amiodarone (USAN/INN)
    SCN5A
     D02910  Amiodarone (USAN/INN)
    SCN8A
     D02910  Amiodarone (USAN/INN)
    SCN9A
     D02910  Amiodarone (USAN/INN)
    SCN10A
     D02910  Amiodarone (USAN/INN)
    SCN11A
     D02910  Amiodarone (USAN/INN)
   Potassium channels
    KCND3
     D02910  Amiodarone (USAN/INN)
    KCNH2
     D02910  Amiodarone (USAN/INN)
    KCNQ1
     D02910  Amiodarone (USAN/INN)
   Inward rectifier channels (Kir)
    KCNJ3
     D02910  Amiodarone (USAN/INN)
    KCNJ5
     D02910  Amiodarone (USAN/INN)
    KCNJ8
     D02910  Amiodarone (USAN/INN)
    KCNJ11
     D02910  Amiodarone (USAN/INN)
    KCNJ12
     D02910  Amiodarone (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1951-25-3
PubChem: 17397067
ChEBI: 2663
ChEMBL: CHEMBL633
DrugBank: DB01118
PDB-CCD: BBI[PDBj]
LigandBox: D02910
NIKKAJI: J7.829H
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    17.7800  -21.6300
            2   C8x C    17.7800  -23.0300
            3   C8x C    18.9700  -23.7300
            4   C8y C    20.2300  -23.0300
            5   C8y C    20.2300  -21.6300
            6   C8x C    18.9700  -20.8600
            7   O2x O    21.5600  -23.4500
            8   C8y C    22.4000  -22.3300
            9   C8y C    21.5600  -21.1400
            10  C5a C    21.5600  -19.7400
            11  C8y C    22.7500  -19.0400
            12  O5a O    20.3700  -19.0400
            13  C8x C    24.0100  -19.7400
            14  C8y C    25.2000  -19.0400
            15  C8y C    25.2000  -17.6400
            16  C8y C    24.0100  -16.9400
            17  C8x C    22.7500  -17.6400
            18  O2a O    26.4600  -16.9400
            19  X   I    26.4600  -19.7400
            20  X   I    24.0100  -15.5400
            21  C1b C    27.6500  -17.6400
            22  C1b C    28.8400  -16.9400
            23  N1c N    30.0300  -17.6400
            24  C1b C    31.2200  -16.9400
            25  C1b C    30.0300  -19.0400
            26  C1a C    31.2200  -19.7400
            27  C1a C    32.4100  -17.6400
            28  C1b C    23.7300  -22.3300
            29  C1b C    24.4300  -23.5200
            30  C1b C    25.8300  -23.5200
            31  C1a C    26.5300  -24.7100
BOND        33
            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    9  10 1
            12   10  11 1
            13   10  12 2
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21   14  19 1
            22   16  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 1
            29   24  27 1
            30    8  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1

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