KEGG   DRUG: NitrendipineHelp
Entry
D00629                      Drug                                   

Name
Nitrendipine (JP17/USAN/INN);
Baypress (TN)
Formula
C18H20N2O6
Exact mass
360.1321
Mol weight
360.3612
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
Same as: 
Therapeutic category: 
ATC code: 
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], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Transporter inhibition: ABCB1 [HSA:5243]
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
     C08CA08 Nitrendipine
      D00629  Nitrendipine (JP17/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   217  Vasodilators
    2171  Coronary dilators
     D00629  Nitrendipine (JP17/USAN/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
     Nitrendipine
      D00629  Nitrendipine (JP17/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Nitrendipine
    D00629  Nitrendipine (JP17/USAN/INN)
  CYP3A5
   Nitrendipine
    D00629  Nitrendipine (JP17/USAN/INN)
  CYP3A7
   Nitrendipine
    D00629  Nitrendipine (JP17/USAN/INN)
 Transporter inhibitors
  ABCB1
   Nitrendipine
    D00629  Nitrendipine (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00629  Nitrendipine
  D00629  Nitrendipine tablets
Cardiovascular agents [br08364.html]
 Antihypertensives
  D00629
BRITE hierarchy
Other DBs
CAS: 
39562-70-4
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1y C    25.6841  -15.5925
            2   C2y C    24.4825  -14.8986
            3   C2y C    26.9031  -14.8986
            4   C8y C    25.6782  -16.9923
            5   C2y C    24.4825  -13.4930
            6   C7a C    23.2752  -15.5868
            7   C2y C    26.9031  -13.4930
            8   C7a C    28.1161  -15.5925
            9   C8x C    24.4651  -17.6981
            10  C8x C    26.8914  -17.6981
            11  N1x N    25.6841  -12.7931
            12  C1a C    23.2752  -12.7815
            13  O7a O    22.0622  -14.8926
            14  O6a O    23.2812  -16.9923
            15  C1a C    28.1221  -12.7931
            16  O7a O    29.3294  -14.8986
            17  O6a O    28.1221  -16.9982
            18  C8y C    24.4651  -19.0979
            19  C8x C    26.8914  -19.1037
            20  C1b C    20.8491  -15.5809
            21  C1a C    30.5424  -15.5925
            22  C8x C    25.6724  -19.7977
            23  N2b N    23.2578  -19.7977 #+
            24  C1a C    19.6359  -14.8811
            25  O3a O    22.0447  -19.0920
            26  O3a O    23.2695  -21.1974 #-
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 2
            17    9  18 2
            18   10  19 1
            19   13  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1
            23   20  24 1
            24   23  25 2
            25   23  26 1
            26    7  11 1
            27   19  22 2

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