KEGG   DRUG: Benidipine hydrochlorideHelp
Entry
D02045                      Drug                                   

Name
Benidipine hydrochloride (JP17);
KW 3049;
Coniel (TN)
Formula
C28H31N3O6. HCl
Exact mass
541.198
Mol weight
542.0232
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
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antihypertensive, Vasodilator, 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
     C08CA15 Benidipine
      D02045  Benidipine hydrochloride (JP17)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D02045  Benidipine hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel L type
     Benidipine
      D02045  Benidipine hydrochloride (JP17)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Benidipine
    D02045  Benidipine hydrochloride (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02045  Benidipine hydrochloride
  D02045  Benidipine hydrochloride tablets
Cardiovascular agents [br08364.html]
 Antihypertensives
  D02045
BRITE hierarchy
Other DBs
CAS: 
91599-74-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        38
            1   C2y C    14.4452  -13.8847
            2   C2y C    14.4452  -15.2841
            3   C1y C    15.6580  -15.9839
            4   C2y C    16.8709  -15.2841
            5   C2y C    16.8709  -13.8847
            6   N1x N    15.6580  -13.1850
            7   C1a C    13.2323  -13.1850
            8   C1a C    18.0838  -13.1850
            9   C8y C    15.6580  -17.3833
            10  C8x C    14.4452  -18.0831
            11  C8x C    14.4452  -19.4825
            12  C8x C    15.6580  -20.1822
            13  C8y C    16.8709  -19.4825
            14  C8x C    16.8709  -18.0831
            15  N2b N    18.0838  -20.1822 #+
            16  O3a O    19.5766  -19.1325
            17  O3a O    18.0838  -21.5817 #-
            18  C7a C    18.0838  -15.9839
            19  O7a O    19.2966  -15.2841
            20  O6a O    18.0838  -17.3833
            21  C1y C    20.5095  -15.9839
            22  C1x C    20.5095  -17.3833
            23  C1x C    21.7223  -18.0831
            24  C1x C    22.9351  -17.3833
            25  N1y N    22.9351  -15.9839
            26  C1x C    21.7223  -15.2841
            27  C1b C    24.1480  -15.2841
            28  C8y C    25.3608  -15.9839
            29  C7a C    13.2323  -15.9839
            30  O7a O    12.0195  -15.2841
            31  O6a O    13.2323  -17.3833
            32  C1a C    10.8066  -15.9839
            33  C8x C    25.3608  -17.3833
            34  C8x C    26.5737  -18.0831
            35  C8x C    27.7866  -17.3833
            36  C8x C    27.7866  -15.9839
            37  C8x C    26.5737  -15.2841
            38  X   Cl   31.7098  -16.8233
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     3   9 1 #Down
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   13  15 1
            17   15  16 2
            18   15  17 1
            19    4  18 1
            20   18  19 1
            21   18  20 2
            22   21  19 1 #Up
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   21  26 1
            29   25  27 1
            30   27  28 1
            31    2  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   28  33 2
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   28  37 1

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