KEGG   DRUG: BenidipineHelp
Entry
D07509                      Drug                                   

Name
Benidipine (INN)
Formula
C28H31N3O6
Exact mass
505.2213
Mol weight
505.5622
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, 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
      D07509  Benidipine (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
     Benidipine
      D07509  Benidipine (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Benidipine
    D07509  Benidipine (INN)
BRITE hierarchy
Other DBs
CAS: 
105979-17-7
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C2y C    19.3900  -14.4900
            2   C2y C    19.3900  -15.8900
            3   C1y C    20.5800  -16.5900
            4   C2y C    21.7700  -15.8900
            5   C2y C    21.7700  -14.4900
            6   N1x N    20.5800  -13.7900
            7   C1a C    18.2000  -13.7900
            8   C1a C    22.9600  -13.7900
            9   C8y C    20.5800  -17.9200
            10  C8x C    19.3900  -18.6200
            11  C8x C    19.3900  -20.0200
            12  C8x C    20.5800  -20.7200
            13  C8y C    21.7700  -20.0200
            14  C8x C    21.7700  -18.6200
            15  N2b N    22.9600  -20.7200 #+
            16  O3a O    24.5000  -19.6700
            17  O3a O    22.9600  -22.1200 #-
            18  C7a C    22.9600  -16.5900
            19  O7a O    24.2200  -15.8900
            20  O6a O    22.9600  -17.9200
            21  C1y C    25.4100  -16.5900
            22  C1x C    25.4100  -17.9200
            23  C1x C    26.6000  -18.6200
            24  C1x C    27.7900  -17.9200
            25  N1y N    27.7900  -16.5900
            26  C1x C    26.6000  -15.8900
            27  C1b C    28.9800  -15.8900
            28  C8y C    30.2400  -16.5900
            29  C7a C    18.2000  -16.5900
            30  O7a O    16.9400  -15.8900
            31  O6a O    18.2000  -17.9200
            32  C1a C    15.7500  -16.5900
            33  C8x C    30.2400  -17.9200
            34  C8x C    31.4300  -18.6200
            35  C8x C    32.6200  -17.9200
            36  C8x C    32.6200  -16.5900
            37  C8x C    31.4300  -15.8900
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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