KEGG   DRUG: Barnidipine
Entry
D07494                      Drug                                   
Name
Barnidipine (INN);
Vasexten (TN)
Formula
C27H29N3O6
Exact mass
491.2056
Mol weight
491.5357
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: C08CA12
Chemical structure group: DG00325
Product (DG00325): D01104<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
     C08CA12 Barnidipine
      D07494  Barnidipine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00325  Barnidipine
     D07494  Barnidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00325  Barnidipine
     D07494  Barnidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00325  Barnidipine
     D07494  Barnidipine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D07494  Barnidipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07494
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00325  Barnidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00325  Barnidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00325  Barnidipine
Other DBs
CAS: 104713-75-9
PubChem: 51091819
LigandBox: D07494
NIKKAJI: J316.957J
LinkDB
KCF data

ATOM        36
            1   C1b C    29.8200  -18.2000
            2   N1y N    28.6300  -17.5700
            3   C1x C    29.0500  -16.2400
            4   C1x C    27.9300  -15.4000
            5   C1y C    26.8100  -16.2400
            6   C1x C    27.2300  -17.5700
            7   C2y C    20.7900  -14.1400
            8   C2y C    20.7900  -15.5400
            9   C1y C    22.0500  -16.2400
            10  C2y C    23.2400  -15.5400
            11  C2y C    23.2400  -14.1400
            12  N1x N    22.0500  -13.4400
            13  C8y C    22.0500  -17.6400
            14  C8x C    20.8600  -18.3400
            15  C8x C    20.8600  -19.6700
            16  C8x C    22.0500  -20.3700
            17  C8y C    23.2400  -19.6700
            18  C8x C    23.2400  -18.2700
            19  C7a C    24.4300  -16.2400
            20  O6a O    24.4300  -17.6400
            21  O7a O    25.6200  -15.5400
            22  C1a C    24.4300  -13.4400
            23  C1a C    19.6000  -13.4400
            24  C7a C    19.6000  -16.2400
            25  O7a O    18.4100  -15.5400
            26  O6a O    19.6000  -17.6400
            27  C1a C    17.2200  -16.2400
            28  N2b N    24.4300  -20.3700 #+
            29  O3a O    24.4300  -21.7700 #-
            30  O3a O    25.9700  -19.3200
            31  C8y C    29.8200  -19.6000
            32  C8x C    28.6300  -20.3000
            33  C8x C    28.6300  -21.7000
            34  C8x C    29.8200  -22.4000
            35  C8x C    31.0800  -21.7000
            36  C8x C    31.0800  -20.3000
BOND        39
            1    17  18 1
            2    18  13 2
            3     3   4 1
            4    10  19 1
            5     4   5 1
            6    19  20 2
            7     7   8 2
            8    19  21 1
            9     5  21 1 #Up
            10    8   9 1
            11   11  22 1
            12    9  10 1
            13    7  23 1
            14   10  11 2
            15    8  24 1
            16   11  12 1
            17   24  25 1
            18   12   7 1
            19   24  26 2
            20    5   6 1
            21   25  27 1
            22    9  13 1 #Up
            23   17  28 1
            24    6   2 1
            25   28  29 1
            26   28  30 2
            27    1   2 1
            28    1  31 1
            29    2   3 1
            30   13  14 1
            31   14  15 2
            32   15  16 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  31 1
            39   16  17 2

» Japanese version   » Back

KEGG   DRUG: Barnidipine hydrochloride
Entry
D01104                      Drug                                   
Name
Barnidipine hydrochloride (JAN);
Hypoca (TN)
Formula
C27H29N3O6. HCl
Exact mass
527.1823
Mol weight
527.9966
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: C08CA12
Chemical structure group: DG00325
Product (DG00325): D01104<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
     C08CA12 Barnidipine
      D01104  Barnidipine hydrochloride (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01104  Barnidipine hydrochloride (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00325  Barnidipine
     D01104  Barnidipine hydrochloride
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00325  Barnidipine
     D01104  Barnidipine hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00325  Barnidipine
     D01104  Barnidipine hydrochloride
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D01104  Barnidipine hydrochloride
  DG03231  Antihypertensive
   D01104  Barnidipine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01104  Barnidipine hydrochloride (JAN) <JP>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01104
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00325  Barnidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00325  Barnidipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00325  Barnidipine
Other DBs
CAS: 104757-53-1
PubChem: 7848167
ChEBI: 31253
LigandBox: D01104
NIKKAJI: J323.058I
LinkDB
KCF data

ATOM        37
            1   C1b C    25.6682  -17.6897
            2   N1y N    24.4554  -16.9903
            3   C1x C    24.8899  -15.6640
            4   C1x C    23.7540  -14.8378
            5   C1y C    22.6182  -15.6640
            6   C1x C    23.0539  -16.9947
            7   C2y C    16.5561  -13.5665
            8   C2y C    16.5561  -14.9666
            9   C1y C    17.7716  -15.6667
            10  C2y C    18.9800  -14.9666
            11  C2y C    18.9800  -13.5665
            12  N1x N    17.7716  -12.8664
            13  C8y C    17.7733  -17.0669
            14  C8x C    16.5678  -17.7636
            15  C8x C    16.5695  -19.1637
            16  C8x C    17.7830  -19.8623
            17  C8y C    18.9948  -19.1607
            18  C8x C    18.9929  -17.7605
            19  C7a C    20.1930  -15.6657
            20  O6a O    20.1942  -17.0659
            21  O7a O    21.4051  -14.9648
            22  C1a C    20.1930  -12.8672
            23  C1a C    15.3438  -12.8657
            24  C7a C    15.3438  -15.6672
            25  O7a O    14.1308  -14.9678
            26  O6a O    15.3445  -17.0674
            27  C1a C    12.9187  -15.6686
            28  N2b N    20.2083  -19.8592 #+
            29  O3a O    20.2100  -21.2594 #-
            30  O3a O    21.7699  -18.8076
            31  C8y C    25.6691  -19.0899
            32  C8x C    24.4548  -19.7857
            33  C8x C    24.4554  -21.1859
            34  C8x C    25.6684  -21.8853
            35  C8x C    26.8807  -21.1846
            36  C8x C    26.8799  -19.7844
            37  X   Cl   29.5324  -17.7882
BOND        39
            1    17  18 1
            2    18  13 2
            3     3   4 1
            4    10  19 1
            5     4   5 1
            6    19  20 2
            7     7   8 2
            8    19  21 1
            9     5  21 1 #Up
            10    8   9 1
            11   11  22 1
            12    9  10 1
            13    7  23 1
            14   10  11 2
            15    8  24 1
            16   11  12 1
            17   24  25 1
            18   12   7 1
            19   24  26 2
            20    5   6 1
            21   25  27 1
            22    9  13 1 #Up
            23   17  28 1
            24    6   2 1
            25   28  29 1
            26   28  30 2
            27    1   2 1
            28    1  31 1
            29    2   3 1
            30   13  14 1
            31   14  15 2
            32   15  16 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  31 1
            39   16  17 2

» Japanese version   » Back

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