KEGG   DRUG: D01915Help
Entry
D01915                      Drug                                   

Name
Rosuvastatin calcium (JAN/USAN);
ZD 4522;
Crestor (TN)
Product
Formula
(C22H27FN3O6S)2. Ca
Exact mass
1000.2835
Mol weight
1001.1374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihyperlipidemic [HMGCoA reductase inhibitor]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase inhibitor [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis  
 
Metabolism
Transporter: ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234], SLC22A8 [HSA:9376]
Interaction
Genomic biomarker: LDLR [HSA:3949]
Drug interaction
Structure map
HMG-CoA reductase inhibitors
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
     C10AA07 Rosuvastatin
      D01915  Rosuvastatin calcium (JAN/USAN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Rosuvastatin
    D01915  Rosuvastatin calcium (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   218  Hyperlipidemia agents
    2189  Others
     D01915  Rosuvastatin calcium (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase
    Rosuvastatin
     D01915  Rosuvastatin calcium (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
147098-20-2
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        67
            1   C8y C    24.4367  -20.6549
            2   N5x N    24.4367  -22.0555
            3   C8y C    25.6498  -22.7558
            4   N5x N    26.8627  -22.0555
            5   C8y C    26.8627  -20.6549
            6   C8y C    25.6498  -19.9546
            7   C1c C    28.0770  -19.9538
            8   C1a C    29.2913  -20.6549
            9   C1a C    28.0770  -18.5540
            10  C2b C    25.6498  -18.5540
            11  C2b C    26.8634  -17.8533
            12  C1c C    26.8634  -16.4531
            13  O1a O    28.0772  -15.7523
            14  C1b C    25.6513  -15.7533
            15  C1c C    25.6507  -14.3522
            16  O1a O    24.4373  -13.6524
            17  C1b C    26.8633  -13.6514
            18  C6a C    28.2651  -13.6519
            19  O6a O    28.9659  -12.4392
            20  O6a O    28.9649  -14.8651 #-
            21  N1c N    25.6498  -24.1565
            22  S4a S    26.8634  -24.8572
            23  C1a C    24.4374  -24.8564
            24  C1a C    28.0773  -24.1563
            25  O3c O    25.8841  -25.8373
            26  O3c O    27.8449  -25.8373
            27  C8y C    23.2238  -19.9546
            28  C8x C    23.2238  -18.5540
            29  C8x C    22.0108  -17.8537
            30  C8y C    20.7978  -18.5540
            31  C8x C    20.7978  -19.9546
            32  C8x C    22.0108  -20.6549
            33  X   F    19.5828  -17.8525
            34  Z   Ca   33.4941  -14.9124 #2+
            35  C8y C    24.4367  -20.6549
            36  N5x N    24.4367  -22.0555
            37  C8y C    25.6498  -22.7558
            38  N5x N    26.8627  -22.0555
            39  C8y C    26.8627  -20.6549
            40  C8y C    25.6498  -19.9546
            41  C2b C    25.6498  -18.5540
            42  C2b C    26.8634  -17.8533
            43  C1c C    26.8634  -16.4531
            44  O1a O    28.0772  -15.7523
            45  C1b C    25.6513  -15.7533
            46  C1c C    25.6507  -14.3522
            47  O1a O    24.4373  -13.6524
            48  C1b C    26.8633  -13.6514
            49  C6a C    28.2651  -13.6519
            50  O6a O    28.9659  -12.4392
            51  O6a O    28.9649  -14.8651 #-
            52  C1c C    28.0770  -19.9538
            53  C1a C    29.2913  -20.6549
            54  C1a C    28.0770  -18.5540
            55  N1c N    25.6498  -24.1565
            56  S4a S    26.8634  -24.8572
            57  C1a C    28.0773  -24.1563
            58  O3c O    25.8841  -25.8373
            59  O3c O    27.8449  -25.8373
            60  C1a C    24.4374  -24.8564
            61  C8y C    23.2238  -19.9546
            62  C8x C    23.2238  -18.5540
            63  C8x C    22.0108  -17.8537
            64  C8y C    20.7978  -18.5540
            65  C8x C    20.7978  -19.9546
            66  C8x C    22.0108  -20.6549
            67  X   F    19.5828  -17.8525
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     5   7 1
            8     7   8 1
            9     7   9 1
            10    6  10 1
            11   10  11 2
            12   12  11 1 #Down
            13   12  13 1
            14   12  14 1
            15   14  15 1
            16   15  16 1 #Up
            17   15  17 1
            18   17  18 1
            19   18  19 2
            20   18  20 1
            21    3  21 1
            22   21  22 1
            23   21  23 1
            24   22  24 1
            25   22  25 2
            26   22  26 2
            27    1  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   30  31 1
            32   31  32 2
            33   27  32 1
            34   30  33 1
            35   35  36 2
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   39  40 2
            40   35  40 1
            41   39  52 1
            42   52  53 1
            43   52  54 1
            44   40  41 1
            45   41  42 2
            46   43  42 1 #Down
            47   43  44 1
            48   43  45 1
            49   45  46 1
            50   46  47 1 #Up
            51   46  48 1
            52   48  49 1
            53   49  50 2
            54   49  51 1
            55   37  55 1
            56   55  56 1
            57   55  60 1
            58   56  57 1
            59   56  58 2
            60   56  59 2
            61   35  61 1
            62   61  62 2
            63   62  63 1
            64   63  64 2
            65   64  65 1
            66   65  66 2
            67   61  66 1
            68   64  67 1
BRACKET     1    18.4100  -26.5300   18.4100  -11.4100
            1    31.4300  -11.4100   31.4300  -26.5300
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10  11  12  13  14  15  16  17  18  19
            1   20   7   8   9  21  22  24  25  26  23  27  28  29  30  31  32
            1   33
 REPEAT    1   35  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50
            1   51  52  53  54  55  56  57  58  59  60  61  62  63  64  65  66
            1   67

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