KEGG   DRUG: Nifekalant hydrochlorideHelp
Entry
D01856                      Drug                                   

Name
Nifekalant hydrochloride (JAN);
MS 551;
Shinbit (TN)
Formula
C19H27N5O5. HCl
Exact mass
441.1779
Mol weight
441.9091
Structure
Mol fileKCF fileDB search
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01648  Class III antiarrhythmic agent
Remark
Therapeutic category: 2129
Product: D01856<JP>
Efficacy
Antiarrhythmic, Potassium channel blocker
Comment
Class III antiarrhythmic agent
Target
KCND3 [HSA:3752] [KO:K04893]
KCNH2 [HSA:3757] [KO:K04905]
KCNJ12 [HSA:3768] [KO:K05005]
Interaction
Drug interaction
Structure map
map07037  Antiarrhythmic drugs
map07232  Potassium channel blocking and opening drugs
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2129  Others
     D01856  Nifekalant hydrochloride (JAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Potassium channels
    KCND3
     D01856  Nifekalant hydrochloride (JAN) <JP>
    KCNH2
     D01856  Nifekalant hydrochloride (JAN) <JP>
   Inward rectifier channels (Kir)
    KCNJ12
     D01856  Nifekalant hydrochloride (JAN) <JP>
BRITE hierarchy
Other DBs
CAS: 130656-51-8
PubChem: 7848918
ChEBI: 31909
ChEMBL: CHEMBL553090
LigandBox: D01856
NIKKAJI: J846.903B
LinkDB All DBs
KCF data Show

ATOM        30
            1   X   Cl   27.8315  -15.0437
            2   C8x C     9.0553  -13.9192
            3   C8y C     9.0553  -12.5189
            4   C8x C    10.2708  -11.8188
            5   C8x C    11.4793  -12.5189
            6   C8y C    11.4793  -13.9192
            7   C8x C    10.2708  -14.6193
            8   C1b C    12.6914  -14.6199
            9   N1c N    16.3298  -13.9225
            10  C1b C    17.5420  -14.6235
            11  C1b C    18.7552  -13.9244
            12  N1b N    19.9672  -14.6254
            13  C8y C    21.1803  -13.9261
            14  C8x C    21.1775  -12.5261
            15  C8y C    22.3906  -11.8268
            16  N4y N    23.6028  -12.5279
            17  C8y C    23.6018  -13.9281
            18  N4y N    22.3886  -14.6272
            19  C1a C    22.3866  -16.0275
            20  O5x O    24.8138  -14.6291
            21  C1a C    24.8160  -11.8287
            22  O5x O    22.3917  -10.4266
            23  C1b C    15.1163  -14.6194
            24  C1b C    13.9070  -13.9193
            25  N2b N     7.8429  -11.8181 #+
            26  O3a O     7.8438  -10.4179
            27  O3a O     6.6301  -12.5176 #-
            28  C1b C    16.3320  -12.5223
            29  C1b C    17.5457  -11.8241
            30  O1a O    17.5477  -10.4239
BOND        30
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13  14 2
            6    14  15 1
            7    15  16 1
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11   18  19 1
            12   17  20 2
            13   16  21 1
            14   15  22 2
            15    7   2 1
            16    9  23 1
            17   23  24 1
            18   24   8 1
            19    8   6 1
            20    3  25 1
            21    2   3 2
            22   25  26 2
            23    3   4 1
            24   25  27 1
            25    4   5 2
            26    9  28 1
            27    5   6 1
            28   28  29 1
            29    6   7 2
            30   29  30 1

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