KEGG   DRUG: Cilnidipine
Entry
D01173                      Drug                                   
Name
Cilnidipine (JP18/INN);
Atelec (TN)
Formula
C27H28N2O7
Exact mass
492.1897
Mol weight
492.52
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
  DG01572  Calcium channel N type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2149
ATC code: C08CA14
Product: D01173<JP>
Product (mixture): D10525<JP>
Efficacy
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
CACNA1B [HSA:774] [KO:K04849]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C19 [HSA:1557]
Interaction
Structure map
map07036  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
     C08CA14 Cilnidipine
      D01173  Cilnidipine (JP18/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01173  Cilnidipine (JP18/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    D01173  Cilnidipine
   DG01572  Calcium channel N type blocker
    D01173  Cilnidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    D01173  Cilnidipine
 Metabolizing enzyme substrate
  DG01639  CYP2C19 substrate
   D01173  Cilnidipine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D01173  Cilnidipine
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D01173  Cilnidipine
  DG03231  Antihypertensive
   D01173  Cilnidipine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1B
     D01173  Cilnidipine (JP18/INN) <JP>
    CACNA1-L
     D01173  Cilnidipine (JP18/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01173  Cilnidipine
  D01173  Cilnidipine tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01173
Other DBs
CAS: 132203-70-4
PubChem: 7848236
ChEBI: 31399
LigandBox: D01173
NIKKAJI: J862.466F
LinkDB
KCF data

ATOM        36
            1   C2y C    24.6047  -12.8785
            2   C2y C    24.6047  -14.2686
            3   C1y C    25.8115  -14.9635
            4   C2y C    27.0112  -14.2686
            5   C2y C    27.0112  -12.8785
            6   N1x N    25.8115  -12.1834
            7   C8y C    25.8132  -16.3537
            8   C8x C    24.6163  -17.0454
            9   C8x C    24.6181  -18.4355
            10  C8x C    25.8229  -19.1291
            11  C8y C    27.0259  -18.4325
            12  C8x C    27.0242  -17.0424
            13  N2b N    28.2307  -19.1260 #+
            14  C7a C    28.2157  -14.9626
            15  O6a O    28.2167  -16.3527
            16  O7a O    29.4188  -14.2667
            17  C1b C    30.6233  -14.9609
            18  C2b C    31.8267  -14.2648
            19  C2b C    33.2121  -14.2614
            20  C1a C    28.2157  -12.1842
            21  C1a C    23.4012  -12.1827
            22  C7a C    23.4012  -14.9641
            23  O7a O    22.1970  -14.2697
            24  O6a O    23.4019  -16.3542
            25  C1b C    20.9934  -14.9654
            26  C1b C    19.7892  -14.2709
            27  O2a O    18.5858  -14.9666
            28  O3a O    29.7117  -18.1514
            29  O3a O    28.2324  -20.5161 #-
            30  C8y C    34.4127  -13.5593
            31  C8x C    34.4749  -12.1687
            32  C1a C    17.3815  -14.2723
            33  C8x C    35.5926  -14.3129
            34  C8x C    36.9051  -13.6678
            35  C8x C    36.8974  -12.2772
            36  C8x C    35.7174  -11.5236
BOND        38
            1     3   4 1
            2    17  18 1
            3     4   5 2
            4    18  19 2
            5     5   6 1
            6     5  20 1
            7     7   8 2
            8     1  21 1
            9     8   9 1
            10    2  22 1
            11    9  10 2
            12   22  23 1
            13   10  11 1
            14   22  24 2
            15   11  12 2
            16   23  25 1
            17   12   7 1
            18   25  26 1
            19    6   1 1
            20   26  27 1
            21   11  13 1
            22   13  28 2
            23   13  29 1
            24    4  14 1
            25   19  30 1
            26    3   7 1
            27   14  15 2
            28    1   2 2
            29   14  16 1
            30    2   3 1
            31   31  30 1
            32   16  17 1
            33   27  32 1
            34   30  33 2
            35   33  34 1
            36   34  35 2
            37   35  36 1
            38   31  36 2

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