KEGG   DRUG: Pitavastatin calcium hydrate
Entry
D10568                      Drug                                   

Name
Pitavastatin calcium hydrate (JP17)
Formula
(C25H23FNO4)2. 5H2O. Ca
Exact mass
970.3376
Mol weight
971.06
Structure
Simcomp
Class
Cardiovascular agent
 DG01660  HMG-CoA reductase inhibitor
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
Therapeutic category: 2189
ATC code: C10AA08
Chemical structure group: DG01838
Product (DG01838): D01862<JP/US> D10568<JP> D11092<US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AA HMG CoA reductase inhibitors
     C10AA08 Pitavastatin
      D10568  Pitavastatin calcium hydrate (JP17) <JP>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Pitavastatin
    D10568  Pitavastatin calcium hydrate (JP17)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   218  Hyperlipidemia agents
    2189  Others
     D10568  Pitavastatin calcium hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D10568  Pitavastatin calcium hydrate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D10568  Pitavastatin calcium hydrate
  D10568  Pitavastatin calcium tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10568
Other DBs
PubChem: 254741530
LinkDB
KCF data

ATOM        68
            1   C8x C     6.9300  -11.5500
            2   C8x C     6.9300  -12.9500
            3   C8x C     8.1200  -13.6500
            4   C8y C     9.3800  -12.9500
            5   C8y C     9.3800  -11.5500
            6   C8x C     8.1200  -10.8500
            7   N5x N    10.5700  -13.6500
            8   C8y C    11.7600  -12.9500
            9   C8y C    11.7600  -11.5500
            10  C8y C    10.5700  -10.8500
            11  C8y C    10.5700   -9.4500
            12  C8x C    11.7600   -8.7500
            13  C8x C    11.7600   -7.3500
            14  C8y C    10.5700   -6.6500
            15  C8x C     9.3800   -7.3500
            16  C8x C     9.3800   -8.7500
            17  C2b C    12.9500  -10.8500
            18  C2b C    14.1400  -11.5500
            19  X   F    10.5700   -5.2500
            20  C1y C    12.9500  -13.6500
            21  C1c C    15.3300  -10.8500
            22  C1b C    16.5200  -11.5500
            23  C1c C    17.7100  -10.8500
            24  C1b C    18.9000  -11.5500
            25  O1a O    15.3300   -9.4500
            26  O1a O    17.7100   -9.4500
            27  C6a C    20.0900  -10.8500
            28  O6a O    21.2800  -11.5500 #-
            29  O6a O    20.0900   -9.4500
            30  C1x C    14.3500  -13.6500
            31  C1x C    13.6500  -14.8400
            32  Z   Ca   24.9200  -11.6200 #+
            33  O0  O    30.3100  -11.6900
            34  C8x C     6.9300  -11.5500
            35  C8x C     6.9300  -12.9500
            36  C8x C     8.1200  -13.6500
            37  C8y C     9.3800  -12.9500
            38  C8y C     9.3800  -11.5500
            39  C8x C     8.1200  -10.8500
            40  C8y C    10.5700  -10.8500
            41  C8y C    11.7600  -11.5500
            42  C8y C    11.7600  -12.9500
            43  N5x N    10.5700  -13.6500
            44  C1y C    12.9500  -13.6500
            45  C1x C    13.6500  -14.8400
            46  C1x C    14.3500  -13.6500
            47  C2b C    12.9500  -10.8500
            48  C2b C    14.1400  -11.5500
            49  C1c C    15.3300  -10.8500
            50  C1b C    16.5200  -11.5500
            51  C1c C    17.7100  -10.8500
            52  C1b C    18.9000  -11.5500
            53  C6a C    20.0900  -10.8500
            54  O6a O    21.2800  -11.5500 #-
            55  O6a O    20.0900   -9.4500
            56  O1a O    17.7100   -9.4500
            57  O1a O    15.3300   -9.4500
            58  C8y C    10.5700   -9.4500
            59  C8x C    11.7600   -8.7500
            60  C8x C    11.7600   -7.3500
            61  C8y C    10.5700   -6.6500
            62  C8x C     9.3800   -7.3500
            63  C8x C     9.3800   -8.7500
            64  X   F    10.5700   -5.2500
            65  O0  O    30.3100  -11.6900
            66  O0  O    30.3100  -11.6900
            67  O0  O    30.3100  -11.6900
            68  O0  O    30.3100  -11.6900
BOND        68
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    9  17 1
            20   17  18 2
            21   14  19 1
            22    8  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   21  25 1 #Up
            28   23  26 1 #Up
            29   24  27 1
            30   27  28 1
            31   27  29 2
            32   31  30 1
            33   31  20 1
            34   20  30 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   34  39 1
            41   37  43 1
            42   43  42 2
            43   42  41 1
            44   41  40 2
            45   38  40 1
            46   40  58 1
            47   58  59 2
            48   59  60 1
            49   60  61 2
            50   61  62 1
            51   62  63 2
            52   58  63 1
            53   41  47 1
            54   47  48 2
            55   61  64 1
            56   42  44 1
            57   48  49 1
            58   49  50 1
            59   50  51 1
            60   51  52 1
            61   49  57 1 #Up
            62   51  56 1 #Up
            63   52  53 1
            64   53  54 1
            65   53  55 2
            66   45  46 1
            67   45  44 1
            68   44  46 1
BRACKET     1     5.9500  -15.1900    5.9500   -4.1300
            1    22.4700   -4.1300   22.4700  -15.1900
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10   9   8   7  20  31  30  17  18  21
            1   22  23  24  27  28  29  26  25  11  12  13  14  15  16  19
 REPEAT    1   34  35  36  37  38  39  40  41  42  43  44  45  46  47  48  49
            1   50  51  52  53  54  55  56  57  58  59  60  61  62  63  64
            2    28.0000  -12.5300   28.0000  -10.7800
            2    30.9400  -10.7800   30.9400  -12.5300
            2  5
 ORIGINAL  2   33
 REPEAT    2   65  66  67  68

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