KEGG   DRUG: AjmalineHelp
Entry
D00199                      Drug                                   

Name
Ajmaline (JP17);
Ajimalin (TN)
Formula
C20H26N2O2
Exact mass
326.1994
Mol weight
326.4326
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Rauvolfia serpentina [TAX:4060]
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01652  Class I antiarrhythmic agent
   DG01649  Class Ia antiarrhythmic agent
Cyp substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C06542
ATC code: C01BA05
Efficacy
Antiarrhythmic, Sodium channel blocker
Comment
Indole alkaloid
Target
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
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04728  Dopaminergic synapse
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01B ANTIARRHYTHMICS, CLASS I AND III
    C01BA Antiarrhythmics, class Ia
     C01BA05 Ajmaline
      D00199  Ajmaline (JP17)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00199  Ajmaline (JP17)
    SCN2A
     D00199  Ajmaline (JP17)
    SCN3A
     D00199  Ajmaline (JP17)
    SCN4A
     D00199  Ajmaline (JP17)
    SCN5A
     D00199  Ajmaline (JP17)
    SCN8A
     D00199  Ajmaline (JP17)
    SCN9A
     D00199  Ajmaline (JP17)
    SCN10A
     D00199  Ajmaline (JP17)
    SCN11A
     D00199  Ajmaline (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00199  Ajmaline
  D00199  Ajmaline tablets
BRITE hierarchy
Other DBs
CAS: 4360-12-7
PubChem: 7847267
ChEBI: 28462
ChEMBL: CHEMBL2357792
DrugBank: DB01426
LigandBox: D00199
NIKKAJI: J15.133E
KCF data Show

ATOM        24
            1   C8x C    20.0200  -16.5900
            2   C8x C    20.0200  -17.9900
            3   C8x C    21.2324  -18.6900
            4   C8y C    22.4449  -17.9900
            5   C8y C    22.4449  -16.5900
            6   C8x C    21.2324  -15.8900
            7   N1y N    23.7764  -18.4226
            8   C1y C    24.5993  -17.2900
            9   C1z C    23.7764  -16.1574
            10  C1y C    25.9916  -17.1437
            11  N1y N    26.5610  -15.8647
            12  C1y C    25.7381  -14.7321
            13  C1x C    24.3458  -14.8784
            14  C1x C    27.2706  -17.7131
            15  C1y C    27.8400  -16.4341
            16  C1y C    29.1794  -16.2051
            17  C1y C    27.9005  -15.6357
            18  C1b C    30.5794  -16.2051
            19  C1y C    26.5329  -12.8581
            20  O1a O    29.1532  -14.9290
            21  C1y C    23.8464  -12.8674
            22  C1a C    23.7764  -19.8226
            23  O1a O    22.8030  -11.8971
            24  C1a C    31.2973  -17.4482
BOND        29
            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 1
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 1 #Up
            22   12  19 1 #Up
            23   15  19 1 #Up
            24   17  20 1 #Down
            25    9  21 1 #Up
            26   21  19 1
            27    7  22 1
            28   21  23 1 #Down
            29   18  24 1

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