KEGG   DRUG: Barnidipine hydrochlorideHelp
Entry
D01104                      Drug                                   

Name
Barnidipine hydrochloride (JAN);
Hypoca (TN)
Formula
C27H29N3O6. HCl
Exact mass
527.1823
Mol weight
527.9966
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
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
Therapeutic category: 
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
      D01104  Barnidipine hydrochloride (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01104  Barnidipine hydrochloride (JAN)
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
      D01104  Barnidipine hydrochloride (JAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Barnidipine
    D01104  Barnidipine hydrochloride (JAN)
Cardiovascular agents [br08364.html]
 Antihypertensives
  D01104
BRITE hierarchy
Other DBs
CAS: 
104757-53-1
PubChem: 
ChEBI: 
LigandBox: 
NIKKAJI: 
KCF data Show

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

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