KEGG   DRUG: Flunarizine
Entry
D07971                      Drug                                   
Name
Flunarizine (INN);
Sibelium (TN)
Formula
C26H26F2N2
Exact mass
404.2064
Mol weight
404.49
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N07CA03
Chemical structure group: DG01006
Efficacy
Antivertigo, Vasodilator, Calcium antagonist
Target
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07036  Calcium channel blocking drugs
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07C ANTIVERTIGO PREPARATIONS
    N07CA Antivertigo preparations
     N07CA03 Flunarizine
      D07971  Flunarizine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG01006  Flunarizine
     D07971  Flunarizine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01006  Flunarizine
    D07971  Flunarizine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D07971  Flunarizine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07971
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG01006  Flunarizine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01006  Flunarizine
Other DBs
CAS: 52468-60-7
PubChem: 96024666
LigandBox: D07971
NIKKAJI: J9.934A
LinkDB
KCF data

ATOM        30
            1   C1c C    23.3100  -20.7200
            2   C8y C    22.1200  -21.4200
            3   C8y C    24.5000  -21.4200
            4   C8x C    20.8600  -20.7200
            5   C8x C    19.6700  -21.4200
            6   C8y C    19.6700  -22.8200
            7   C8x C    20.8600  -23.5200
            8   C8x C    22.1200  -22.8200
            9   C8x C    24.5000  -22.8200
            10  C8x C    25.7600  -23.5200
            11  C8y C    26.9500  -22.8200
            12  C8x C    26.9500  -21.4200
            13  C8x C    25.7600  -20.7200
            14  X   F    18.4800  -23.5200
            15  X   F    28.1400  -23.5200
            16  N1y N    23.3100  -19.3200
            17  C1x C    24.5000  -18.6200
            18  C1x C    24.5000  -17.2200
            19  N1y N    23.3100  -16.5200
            20  C1x C    22.1200  -17.2200
            21  C1x C    22.1200  -18.6200
            22  C1b C    23.3100  -15.1200
            23  C2b C    24.5700  -14.4200
            24  C2b C    25.7600  -15.1200
            25  C8y C    26.9500  -14.4200
            26  C8x C    28.1400  -15.1200
            27  C8x C    29.4000  -14.4200
            28  C8x C    29.4000  -13.0200
            29  C8x C    28.2100  -12.3200
            30  C8x C    26.9500  -13.0200
BOND        33
            1    16  17 1
            2    17  18 1
            3    18  19 1
            4    19  20 1
            5    20  21 1
            6    21  16 1
            7     1   2 1
            8    19  22 1
            9     1   3 1
            10    3   9 2
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13   3 1
            16    2   4 2
            17    6  14 1
            18   22  23 1
            19    4   5 1
            20   11  15 1
            21    5   6 2
            22    1  16 1
            23    6   7 1
            24    7   8 2
            25    8   2 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1

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KEGG   DRUG: Flunarizine hydrochloride
Entry
D01303                      Drug                                   
Name
Flunarizine hydrochloride (JAN/USAN)
Formula
C26H26F2N2. 2HCl
Exact mass
476.1598
Mol weight
477.41
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01573  Calcium channel T type blocker
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N07CA03
Chemical structure group: DG01006
Efficacy
Antivertigo, Vasodilator, Calcium antagonist
Target
CACNA1-T [HSA:8911 8912 8913] [KO:K04856 K04855 K04854]
  Pathway
hsa04020  Calcium signaling pathway
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07036  Calcium channel blocking drugs
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07C ANTIVERTIGO PREPARATIONS
    N07CA Antivertigo preparations
     N07CA03 Flunarizine
      D01303  Flunarizine hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG01006  Flunarizine
     D01303  Flunarizine hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01006  Flunarizine
    D01303  Flunarizine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-T
     D01303  Flunarizine hydrochloride (JAN/USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01303
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01573  Calcium channel T type blocker
    DG01006  Flunarizine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG01006  Flunarizine
Other DBs
CAS: 30484-77-6
PubChem: 7848366
ChEBI: 31621
LigandBox: D01303
NIKKAJI: J290.434I
LinkDB
KCF data

ATOM        32
            1   C1c C    32.9047  -20.4996
            2   C8y C    31.6903  -21.1975
            3   C8y C    34.1164  -21.2023
            4   C8x C    30.4848  -20.4979
            5   C8x C    29.2704  -21.1960
            6   C8y C    29.2677  -22.5966
            7   C8x C    30.4794  -23.2991
            8   C8x C    31.6936  -22.6012
            9   C8x C    34.1060  -22.6017
            10  C8x C    35.3177  -23.3044
            11  C8y C    36.5320  -22.6066
            12  C8x C    36.5349  -21.2060
            13  C8x C    35.3231  -20.5033
            14  X   F    28.0533  -23.2944
            15  X   F    37.7437  -23.3093
            16  N1y N    32.9074  -19.0988
            17  C1x C    34.1218  -18.4009
            18  C1x C    34.1245  -17.0003
            19  N1y N    32.9130  -16.2976
            20  C1x C    31.6987  -16.9954
            21  C1x C    31.6959  -18.3960
            22  C1b C    32.9158  -14.8970
            23  C2b C    34.1301  -14.1989
            24  C2b C    35.3684  -14.9170
            25  C8y C    36.5712  -14.2255
            26  C8x C    37.7523  -14.9103
            27  C8x C    38.9660  -14.2126
            28  C8x C    38.9686  -12.8126
            29  C8x C    37.7876  -12.1278
            30  C8x C    36.5739  -12.8255
            31  X   Cl   38.3236  -17.8908
            32  X   Cl   38.3236  -17.8908
BOND        33
            1    16  17 1
            2    17  18 1
            3    18  19 1
            4    19  20 1
            5    20  21 1
            6    21  16 1
            7     1   2 1
            8    19  22 1
            9     1   3 1
            10    3   9 2
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13   3 1
            16    2   4 2
            17    6  14 1
            18   22  23 1
            19    4   5 1
            20   11  15 1
            21    5   6 2
            22    1  16 1
            23    6   7 1
            24    7   8 2
            25    8   2 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
BRACKET     1    36.7500  -18.6200   36.7500  -17.2200
            1    39.1300  -17.2200   39.1300  -18.6200
            1  2
 ORIGINAL  1   31
 REPEAT    1   32

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