KEGG   COMPOUND: C13334
Entry
C13334                      Compound                               

Name
Pitavastatin;
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
Formula
C25H23FNO4
Exact mass
420.1611
Mol weight
420.4528
Structure
Pathway
map07024  HMG-CoA reductase inhibitors
Other DBs
CAS: 147511-69-1
PubChem: 586078
ChEBI: 32020 71260
ChEMBL: CHEMBL1201753
LinkDB
KCF data

ATOM        31
            1   C8x C    26.6837  -27.4037
            2   C8x C    26.6837  -28.8133
            3   C8x C    27.8818  -29.5181
            4   C8y C    29.1505  -28.8133
            5   C8y C    29.1505  -27.4037
            6   C8x C    27.8818  -26.6989
            7   N5x N    30.3486  -29.5181
            8   C8y C    31.5468  -28.8133
            9   C8y C    31.5468  -27.4037
            10  C8y C    30.3486  -26.6989
            11  C8y C    30.3486  -25.2893
            12  C8x C    31.5468  -24.5845
            13  C8x C    31.5468  -23.1749
            14  C8y C    30.3486  -22.4701
            15  C8x C    29.1505  -23.1749
            16  C8x C    29.1505  -24.5845
            17  C2b C    32.7449  -26.6989
            18  C2b C    33.9431  -27.4037
            19  X   F    30.3486  -21.0605
            20  C1y C    32.7449  -29.5181
            21  C1c C    35.1413  -26.6989
            22  C1b C    36.3394  -27.4037
            23  C1c C    37.5376  -26.6989
            24  C1b C    38.7358  -27.4037
            25  O1a O    35.1413  -25.2893
            26  O1a O    37.5376  -25.2893
            27  C6a C    39.9339  -26.6989
            28  O6a O    41.1321  -27.4037 #-
            29  O6a O    39.9339  -25.2893
            30  C1x C    34.1546  -29.5181
            31  C1x C    33.4498  -30.7163
BOND        34
            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

» Japanese version

KEGG   DRUG: Pitavastatin calcium
Entry
D01862                      Drug                                   

Name
Pitavastatin calcium (JAN);
NK 104;
Livalo (TN)
Product
Formula
(C25H23FNO4)2. Ca
Exact mass
880.2848
Mol weight
880.9836
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
  Disease
Primary hyperlipidemia [DS:H01635]
Mixed dyslipidemia [DS:H01635]
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07024  HMG-CoA reductase inhibitors
Other map
map04976  Bile secretion
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
      D01862  Pitavastatin calcium (JAN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Pitavastatin
    D01862  Pitavastatin calcium (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   218  Hyperlipidemia agents
    2189  Others
     D01862  Pitavastatin calcium (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D01862  Pitavastatin calcium (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01862
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01862
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01862
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01862
Other DBs
CAS: 147526-32-7
PubChem: 7848924
ChEBI: 71258
ChEMBL: CHEMBL1237061 CHEMBL2357750
LigandBox: D01862
NIKKAJI: J794.573F
LinkDB
KCF data

ATOM        63
            1   Z   Ca   38.8500  -13.7900 #2+
            2   C8x C    22.4000  -15.1200
            3   C8x C    22.4000  -16.5200
            4   C8x C    23.5900  -17.2200
            5   C8y C    24.8500  -16.5200
            6   C8y C    24.8500  -15.1200
            7   C8x C    23.5900  -14.4200
            8   N5x N    26.0400  -17.2200
            9   C8y C    27.2300  -16.5200
            10  C8y C    27.2300  -15.1200
            11  C8y C    26.0400  -14.4200
            12  C8y C    26.0400  -13.0200
            13  C8x C    27.2300  -12.3200
            14  C8x C    27.2300  -10.9200
            15  C8y C    26.0400  -10.2200
            16  C8x C    24.8500  -10.9200
            17  C8x C    24.8500  -12.3200
            18  C2b C    28.4200  -14.4200
            19  C2b C    29.6100  -15.1200
            20  X   F    26.0400   -8.8200
            21  C1y C    28.4200  -17.2200
            22  C1c C    30.8000  -14.4200
            23  C1b C    31.9900  -15.1200
            24  C1c C    33.1800  -14.4200
            25  C1b C    34.3700  -15.1200
            26  O1a O    30.8000  -13.0200
            27  O1a O    33.1800  -13.0200
            28  C6a C    35.5600  -14.4200
            29  O6a O    36.7500  -15.1200 #-
            30  O6a O    35.5600  -13.0200
            31  C1x C    29.8200  -17.2200
            32  C1x C    29.1200  -18.4100
            33  C8x C    22.4000  -15.1200
            34  C8x C    22.4000  -16.5200
            35  C8x C    23.5900  -17.2200
            36  C8y C    24.8500  -16.5200
            37  C8y C    24.8500  -15.1200
            38  C8x C    23.5900  -14.4200
            39  C8y C    26.0400  -14.4200
            40  C8y C    27.2300  -15.1200
            41  C8y C    27.2300  -16.5200
            42  N5x N    26.0400  -17.2200
            43  C1y C    28.4200  -17.2200
            44  C1x C    29.1200  -18.4100
            45  C1x C    29.8200  -17.2200
            46  C2b C    28.4200  -14.4200
            47  C2b C    29.6100  -15.1200
            48  C1c C    30.8000  -14.4200
            49  C1b C    31.9900  -15.1200
            50  C1c C    33.1800  -14.4200
            51  C1b C    34.3700  -15.1200
            52  C6a C    35.5600  -14.4200
            53  O6a O    36.7500  -15.1200 #-
            54  O6a O    35.5600  -13.0200
            55  O1a O    33.1800  -13.0200
            56  O1a O    30.8000  -13.0200
            57  C8y C    26.0400  -13.0200
            58  C8x C    27.2300  -12.3200
            59  C8x C    27.2300  -10.9200
            60  C8y C    26.0400  -10.2200
            61  C8x C    24.8500  -10.9200
            62  C8x C    24.8500  -12.3200
            63  X   F    26.0400   -8.8200
BOND        68
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   10  18 1
            20   18  19 2
            21   15  20 1
            22    9  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   22  26 1 #Up
            28   24  27 1 #Up
            29   25  28 1
            30   28  29 1
            31   28  30 2
            32   32  31 1
            33   32  21 1
            34   21  31 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   36  37 1
            39   37  38 2
            40   33  38 1
            41   36  42 1
            42   42  41 2
            43   41  40 1
            44   40  39 2
            45   37  39 1
            46   39  57 1
            47   57  58 2
            48   58  59 1
            49   59  60 2
            50   60  61 1
            51   61  62 2
            52   57  62 1
            53   40  46 1
            54   46  47 2
            55   60  63 1
            56   41  43 1
            57   47  48 1
            58   48  49 1
            59   49  50 1
            60   50  51 1
            61   48  56 1 #Up
            62   50  55 1 #Up
            63   51  52 1
            64   52  53 1
            65   52  54 2
            66   44  45 1
            67   44  43 1
            68   43  45 1
BRACKET     1    22.0500  -18.8300   22.0500   -8.4000
            1    37.4500   -8.4000   37.4500  -18.8300
            1  2
 ORIGINAL  1    2   3   4   5   6   7  11  10   9   8  21  32  31  18  19  22
            1   23  24  25  28  29  30  27  26  12  13  14  15  16  17  20
 REPEAT    1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56  57  58  59  60  61  62  63

» Japanese version   » Back

DBGET integrated database retrieval system