KEGG   DRUG: Manidipine
Entry
D08155                      Drug                                   
Name
Manidipine (INN);
Manidipine 6300;
Artedil (TN)
Formula
C35H38N4O6
Exact mass
610.2791
Mol weight
610.6994
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: C08CA11
Chemical structure group: DG00324
Product (DG00324): D01553<JP>
Efficacy
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA11 Manidipine
      D08155  Manidipine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00324  Manidipine
     D08155  Manidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00324  Manidipine
     D08155  Manidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00324  Manidipine
     D08155  Manidipine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D08155  Manidipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08155
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00324  Manidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00324  Manidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00324  Manidipine
Other DBs
CAS: 120092-68-4
PubChem: 96024845
LigandBox: D08155
LinkDB
KCF data

ATOM        45
            1   C8x C    18.1300  -19.6700
            2   C8x C    18.1300  -18.2700
            3   C8y C    19.3900  -17.5700
            4   C8x C    20.5800  -18.2700
            5   C8y C    20.5800  -19.6700
            6   C8x C    19.3900  -20.3700
            7   C1y C    19.3900  -16.1700
            8   C2y C    18.1300  -15.4700
            9   C2y C    18.1300  -14.0700
            10  N1x N    19.3900  -13.3700
            11  C2y C    20.5800  -14.0700
            12  C2y C    20.5800  -15.4700
            13  C7a C    21.7700  -16.1700
            14  O7a O    23.0300  -15.4700
            15  C1b C    24.2200  -16.1700
            16  C1b C    25.4100  -15.4700
            17  N1y N    26.6700  -16.1700
            18  C1x C    27.8600  -15.4700
            19  C1x C    29.0500  -16.1700
            20  N1y N    29.0500  -17.5700
            21  C1x C    27.8600  -18.2700
            22  C1x C    26.6700  -17.5700
            23  O6a O    21.7700  -17.5700
            24  C1c C    30.3100  -18.2700
            25  C8y C    31.5000  -17.5700
            26  C8y C    30.3100  -19.6700
            27  C8x C    31.5000  -20.3700
            28  C8x C    31.5000  -21.7700
            29  C8x C    30.2400  -22.4700
            30  C8x C    29.0500  -21.7700
            31  C8x C    29.0500  -20.3700
            32  C8x C    31.5000  -16.1700
            33  C8x C    32.6900  -15.4700
            34  C8x C    33.8800  -16.1700
            35  C8x C    33.8800  -17.5700
            36  C8x C    32.6900  -18.2700
            37  C1a C    21.7700  -13.3700
            38  C1a C    16.9400  -13.3700
            39  C7a C    16.9400  -16.1700
            40  O6a O    16.9400  -17.5700
            41  O7a O    15.7500  -15.4700
            42  C1a C    14.4900  -16.1700
            43  N2b N    21.7700  -20.3700 #+
            44  O3a O    23.0300  -19.6700
            45  O3a O    21.7700  -21.7700 #-
BOND        49
            1    21  22 1
            2    22  17 1
            3     7   8 1
            4    13  23 2
            5     8   9 2
            6    20  24 1
            7     9  10 1
            8    24  25 1
            9    10  11 1
            10   24  26 1
            11   11  12 2
            12   12   7 1
            13    4   5 1
            14   12  13 1
            15    5   6 2
            16   26  27 2
            17   27  28 1
            18   28  29 2
            19   29  30 1
            20   30  31 2
            21   31  26 1
            22   13  14 1
            23    6   1 1
            24   14  15 1
            25   15  16 1
            26   25  32 2
            27   32  33 1
            28   33  34 2
            29   34  35 1
            30   35  36 2
            31   36  25 1
            32    3   7 1
            33   11  37 1
            34   16  17 1
            35    9  38 1
            36    8  39 1
            37   39  40 2
            38    1   2 2
            39   39  41 1
            40    2   3 1
            41   41  42 1
            42    3   4 2
            43    5  43 1
            44   17  18 1
            45   43  44 2
            46   18  19 1
            47   43  45 1
            48   19  20 1
            49   20  21 1

» Japanese version   » Back

KEGG   DRUG: Manidipine hydrochloride
Entry
D01553                      Drug                                   
Name
Manidipine hydrochloride (JP18);
Manidipine dihydrochloride;
Calslot (TN)
Formula
C35H38N4O6. 2HCl
Exact mass
682.2325
Mol weight
683.6213
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2149
ATC code: C08CA11
Chemical structure group: DG00324
Product (DG00324): D01553<JP>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA11 Manidipine
      D01553  Manidipine hydrochloride (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01553  Manidipine hydrochloride (JP18)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00324  Manidipine
     D01553  Manidipine hydrochloride
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00324  Manidipine
     D01553  Manidipine hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00324  Manidipine
     D01553  Manidipine hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D01553  Manidipine hydrochloride
  DG03231  Antihypertensive
   D01553  Manidipine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01553  Manidipine hydrochloride (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01553  Manidipine hydrochloride
  D01553  Manidipine hydrochloride tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01553
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00324  Manidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00324  Manidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00324  Manidipine
Other DBs
CAS: 89226-75-5
PubChem: 7848616
ChEBI: 31800
LigandBox: D01553
NIKKAJI: J321.708F
LinkDB
KCF data

ATOM        47
            1   C8x C    24.4276  -18.8971
            2   C8x C    24.4276  -17.4973
            3   C8y C    25.6874  -16.7974
            4   C8x C    26.8772  -17.4973
            5   C8y C    26.8772  -18.8971
            6   C8x C    25.6874  -19.5970
            7   C1y C    25.6874  -15.3976
            8   C2y C    24.4276  -14.6978
            9   C2y C    24.4276  -13.2980
            10  N1x N    25.6874  -12.5981
            11  C2y C    26.8772  -13.2980
            12  C2y C    26.8772  -14.6978
            13  C7a C    28.0670  -15.3976
            14  O7a O    29.3268  -14.6978
            15  C1b C    30.5166  -15.3976
            16  C1b C    31.7065  -14.6978
            17  N1y N    32.9662  -15.3976
            18  C1x C    34.1561  -14.6978
            19  C1x C    35.3459  -15.3976
            20  N1y N    35.3459  -16.7974
            21  C1x C    34.1561  -17.4973
            22  C1x C    32.9662  -16.7974
            23  O6a O    28.0670  -16.7974
            24  C1c C    36.6057  -17.4973
            25  C8y C    37.7955  -16.7974
            26  C8y C    36.6057  -18.8971
            27  C8x C    37.7955  -19.5970
            28  C8x C    37.7955  -20.9967
            29  C8x C    36.5357  -21.6966
            30  C8x C    35.3459  -20.9967
            31  C8x C    35.3459  -19.5970
            32  C8x C    37.7955  -15.3976
            33  C8x C    38.9853  -14.6978
            34  C8x C    40.1751  -15.3976
            35  C8x C    40.1751  -16.7974
            36  C8x C    38.9853  -17.4973
            37  C1a C    28.0670  -12.5981
            38  C1a C    23.2378  -12.5981
            39  C7a C    23.2378  -15.3976
            40  O6a O    23.2378  -16.7974
            41  O7a O    22.0480  -14.6978
            42  C1a C    20.7882  -15.3976
            43  N2b N    28.0670  -19.5970 #+
            44  O3a O    29.3268  -18.8971
            45  O3a O    28.0670  -20.9967 #-
            46  X   Cl   43.3945  -17.3573
            47  X   Cl   43.3945  -17.3573
BOND        49
            1    21  22 1
            2    22  17 1
            3     7   8 1
            4    13  23 2
            5     8   9 2
            6    20  24 1
            7     9  10 1
            8    24  25 1
            9    10  11 1
            10   24  26 1
            11   11  12 2
            12   12   7 1
            13    4   5 1
            14   12  13 1
            15    5   6 2
            16   26  27 2
            17   27  28 1
            18   28  29 2
            19   29  30 1
            20   30  31 2
            21   31  26 1
            22   13  14 1
            23    6   1 1
            24   14  15 1
            25   15  16 1
            26   25  32 2
            27   32  33 1
            28   33  34 2
            29   34  35 1
            30   35  36 2
            31   36  25 1
            32    3   7 1
            33   11  37 1
            34   16  17 1
            35    9  38 1
            36    8  39 1
            37   39  40 2
            38    1   2 2
            39   39  41 1
            40    2   3 1
            41   41  42 1
            42    3   4 2
            43    5  43 1
            44   17  18 1
            45   43  44 2
            46   18  19 1
            47   43  45 1
            48   19  20 1
            49   20  21 1
BRACKET     1    41.9300  -18.1300   41.9300  -16.5900
            1    44.1700  -16.5900   44.1700  -18.1300
            1  2
 ORIGINAL  1   46
 REPEAT    1   47

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