KEGG   DRUG: BarnidipineHelp
Entry
D07494                      Drug                                   

Name
Barnidipine (INN);
Vasexten (TN)
Formula
C27H29N3O6
Exact mass
491.2056
Mol weight
491.5357
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Cyp substrate
 DG01633  CYP3A substrate
Remark
ATC code: 
Chemical group: 
Activity
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
MAPK signaling pathway
Calcium signaling pathway
Cardiac muscle contraction
Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
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)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type
     Barnidipine
      D07494  Barnidipine (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Barnidipine
    D07494  Barnidipine (INN)
BRITE hierarchy
Other DBs
CAS: 
104713-75-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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