KEGG   DRUG: Amlodipine benzoate
Entry
D11881                      Drug                                   
Name
Amlodipine benzoate;
Katerzia (TN)
Product
Formula
C20H25ClN2O5. C7H6O2
Exact mass
530.182
Mol weight
530.9972
Structure
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: C08CA01
Chemical structure group: DG00322
Product (DG00322): D00615<JP/US> D11881<US>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
  Disease
Hypertension [DS:H01633]
Coronary artery disease [DS:H01742]
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
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
     C08CA01 Amlodipine
      D11881  Amlodipine benzoate <US>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
     D11881  Amlodipine benzoate
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00322  Amlodipine
     D11881  Amlodipine benzoate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
     D11881  Amlodipine benzoate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D11881  Amlodipine benzoate
  DG03231  Antihypertensive
   D11881  Amlodipine benzoate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D11881  Amlodipine benzoate <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11881
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG00322  Amlodipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
LinkDB
KCF data

ATOM        37
            1   C1y C    17.5124  -15.0607
            2   C2y C    18.7032  -14.3602
            3   C2y C    16.3215  -14.3602
            4   C8y C    17.5124  -17.3723
            5   C2y C    18.7032  -12.9592
            6   C7a C    19.8941  -15.0607
            7   C2y C    16.3215  -12.9592
            8   C7a C    15.1307  -14.9906
            9   C8y C    18.7032  -18.0728
            10  C8x C    16.3215  -18.0728
            11  N1x N    17.5124  -12.2587
            12  C1b C    19.8941  -12.2587
            13  O7a O    21.0849  -14.3602
            14  O6a O    19.8941  -16.3215
            15  C1a C    15.1307  -12.2587
            16  O7a O    13.9399  -14.3602
            17  O6a O    15.1307  -16.3215
            18  C8x C    18.7032  -19.4037
            19  X   Cl   19.8941  -17.3723
            20  C8x C    16.3215  -19.4037
            21  O2a O    21.0849  -12.9592
            22  C1b C    22.2758  -15.0607
            23  C1a C    12.7490  -14.9906
            24  C8x C    17.5124  -20.1042
            25  C1b C    22.2758  -12.2587
            26  C1a C    23.4666  -14.3602
            27  C1b C    23.4666  -12.9592
            28  N1a N    24.5874  -12.2587
            29  C8x C    26.2500  -18.0600
            30  C8x C    26.2500  -19.4600
            31  C8x C    27.4624  -20.1600
            32  C8x C    28.6749  -19.4600
            33  C8x C    28.6749  -18.0600
            34  C8y C    27.4624  -17.3600
            35  C6a C    27.4624  -15.9602
            36  O6a O    26.2332  -15.2503
            37  O6a O    28.6580  -15.2698
BOND        38
            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    9  19 1
            19   10  20 1
            20   12  21 1
            21   13  22 1
            22   16  23 1
            23   18  24 1
            24   21  25 1
            25   22  26 1
            26   25  27 1
            27   27  28 1
            28    7  11 1
            29   20  24 2
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   29  34 1
            36   34  35 1
            37   35  36 2
            38   35  37 1

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