KEGG   DRUG: D00887Help
Entry
D00887                      Drug                                   

Name
Atorvastatin calcium (USAN);
Lipitor (TN)
Product
  Generic
ATORVASTATIN CALCIUM (American Health Packaging), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Apotex Corp.), ATORVASTATIN CALCIUM (AvKARE), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Bryant Ranch Prepack), ATORVASTATIN CALCIUM (Cardinal Health), ATORVASTATIN CALCIUM (Dispensing Solutions), ATORVASTATIN CALCIUM (Dr. Reddy's Laboratories Limited), ATORVASTATIN CALCIUM (Dr. Reddy's Laboratories Limited), ATORVASTATIN CALCIUM (Golden State Medical Supply), ATORVASTATIN CALCIUM (KAISER FOUNDATION HOSPITALS), ATORVASTATIN CALCIUM (Kremers Urban Pharmaceuticals), ATORVASTATIN CALCIUM (Lake Erie Medical DBA Quality Care Products LLC), ATORVASTATIN CALCIUM (Legacy Pharmaceutical Packaging), ATORVASTATIN CALCIUM (Legacy Pharmaceutical Packaging), ATORVASTATIN CALCIUM (Legacy Pharmaceutical Packaging), ATORVASTATIN CALCIUM (Major Pharmaceuticals), ATORVASTATIN CALCIUM (MedVantx), ATORVASTATIN CALCIUM (Mylan Institutional), ATORVASTATIN CALCIUM (Mylan Pharmaceuticals), ATORVASTATIN CALCIUM (New Horizon Rx Group), ATORVASTATIN CALCIUM (Northwind Pharmaceuticals), ATORVASTATIN CALCIUM (Northwind Pharmaceuticals), ATORVASTATIN CALCIUM (Northwind Pharmaceuticals), ATORVASTATIN CALCIUM (Northwind Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (Rebel Distributors Corp), ATORVASTATIN CALCIUM (Rebel Distributors Corp), ATORVASTATIN CALCIUM (Rebel Distributors Corp), ATORVASTATIN CALCIUM (Sandoz), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Unit Dose Services), ATORVASTATIN CALCIUM (Watson Laboratories)
Formula
(C33H34FN2O5)2. Ca
Exact mass
1154.4529
Mol weight
1155.3417
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Inhibitor [HMG-CoA reductase]
Remark
ATC code: 
Drug group: 
Comment
Atorvastatin promotes up-regulation of low-density lipoprotein (LDL) receptors.
Target
hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase inhibitor [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
Genomic biomarker: LDLR [HSA:3949]
CYP inhibition: CYP3A [HSA:1576 1577 1551]
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
     C10AA05 Atorvastatin
      D00887  Atorvastatin calcium (USAN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D00887  Atorvastatin calcium (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   hydroxymethylglutaryl coenzyme A (HMG-CoA) reductase
    Atorvastatin
     D00887  Atorvastatin calcium (USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Atorvastatin
    D00887  Atorvastatin calcium (USAN)
 Inhbitors
  CYP3A
   Atorvastatin
    D00887  Atorvastatin calcium (USAN)
BRITE hierarchy
Other DBs
CAS: 
134523-03-8
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        83
            1   C8y C    24.7759  -21.2292
            2   C8y C    26.1739  -21.2292
            3   C8y C    26.5932  -19.8778
            4   N4y N    25.4749  -19.0856
            5   C8y C    24.3100  -19.8778
            6   C8y C    23.9371  -22.3475
            7   C1c C    27.8980  -19.4584
            8   C8y C    23.0052  -19.4584
            9   C1b C    25.4749  -17.6877
            10  C1b C    26.6865  -16.9887
            11  C1c C    26.6865  -15.5908
            12  O1a O    27.8980  -14.8919
            13  C1b C    25.4749  -14.8919
            14  C1c C    25.4749  -13.4939
            15  C1b C    26.6865  -12.7950
            16  O1a O    24.2634  -12.7950
            17  C6a C    28.0844  -12.7950
            18  O6a O    28.7834  -14.0066 #-
            19  O6a O    28.7834  -11.5835
            20  C8x C    22.7256  -18.0605
            21  C8x C    21.3743  -17.6411
            22  C8y C    20.3492  -18.5731
            23  C8x C    20.6288  -19.9710
            24  C8x C    21.9800  -20.3904
            25  C1a C    28.9697  -20.3904
            26  C1a C    28.2241  -18.0605
            27  X   F    18.9979  -18.1537
            28  C5a C    26.9881  -22.3339
            29  N1b N    28.3874  -22.3339
            30  O5a O    26.3674  -23.5627
            31  C8y C    29.0855  -23.5431
            32  C8x C    28.4066  -24.7194
            33  C8x C    29.1062  -25.9313
            34  C8x C    30.5055  -25.9312
            35  C8x C    31.1846  -24.7548
            36  C8x C    30.4848  -23.5430
            37  C8x C    22.5310  -22.3543
            38  C8x C    21.7783  -23.4640
            39  C8x C    22.4236  -24.7756
            40  C8x C    23.8318  -24.7682
            41  C8x C    24.5845  -23.5886
            42  Z   Ca   32.8355  -18.0187 #2+
            43  C8y C    24.7759  -21.2292
            44  C8y C    26.1739  -21.2292
            45  C8y C    26.5932  -19.8778
            46  N4y N    25.4749  -19.0856
            47  C8y C    24.3100  -19.8778
            48  C8y C    23.0052  -19.4584
            49  C8x C    22.7256  -18.0605
            50  C8x C    21.3743  -17.6411
            51  C8y C    20.3492  -18.5731
            52  C8x C    20.6288  -19.9710
            53  C8x C    21.9800  -20.3904
            54  X   F    18.9979  -18.1537
            55  C1b C    25.4749  -17.6877
            56  C1b C    26.6865  -16.9887
            57  C1c C    26.6865  -15.5908
            58  O1a O    27.8980  -14.8919
            59  C1b C    25.4749  -14.8919
            60  C1c C    25.4749  -13.4939
            61  C1b C    26.6865  -12.7950
            62  C6a C    28.0844  -12.7950
            63  O6a O    28.7834  -14.0066 #-
            64  O6a O    28.7834  -11.5835
            65  O1a O    24.2634  -12.7950
            66  C1c C    27.8980  -19.4584
            67  C1a C    28.9697  -20.3904
            68  C1a C    28.2241  -18.0605
            69  C5a C    26.9881  -22.3339
            70  N1b N    28.3874  -22.3339
            71  C8y C    29.0855  -23.5431
            72  C8x C    28.4066  -24.7194
            73  C8x C    29.1062  -25.9313
            74  C8x C    30.5055  -25.9312
            75  C8x C    31.1846  -24.7548
            76  C8x C    30.4848  -23.5430
            77  O5a O    26.3674  -23.5627
            78  C8y C    23.9371  -22.3475
            79  C8x C    22.5310  -22.3543
            80  C8x C    21.7783  -23.4640
            81  C8x C    22.4236  -24.7756
            82  C8x C    23.8318  -24.7682
            83  C8x C    24.5845  -23.5886
BOND        88
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     3   7 1
            8     5   8 1
            9     4   9 1
            10    9  10 1
            11   11  10 1 #Down
            12   11  12 1
            13   11  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1 #Up
            17   15  17 1
            18   17  18 1
            19   17  19 2
            20    8  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25    8  24 1
            26    7  25 1
            27    7  26 1
            28   22  27 1
            29    2  28 1
            30   28  29 1
            31   28  30 2
            32   29  31 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   34  35 1
            37   35  36 2
            38   31  36 1
            39    6  37 2
            40   37  38 1
            41   38  39 2
            42   39  40 1
            43   40  41 2
            44    6  41 1
            45   43  44 1
            46   44  45 2
            47   45  46 1
            48   46  47 1
            49   43  47 2
            50   43  78 1
            51   45  66 1
            52   47  48 1
            53   46  55 1
            54   55  56 1
            55   57  56 1 #Down
            56   57  58 1
            57   57  59 1
            58   59  60 1
            59   60  61 1
            60   60  65 1 #Up
            61   61  62 1
            62   62  63 1
            63   62  64 2
            64   48  49 2
            65   49  50 1
            66   50  51 2
            67   51  52 1
            68   52  53 2
            69   48  53 1
            70   66  67 1
            71   66  68 1
            72   51  54 1
            73   44  69 1
            74   69  70 1
            75   69  77 2
            76   70  71 1
            77   71  72 2
            78   72  73 1
            79   73  74 2
            80   74  75 1
            81   75  76 2
            82   71  76 1
            83   78  79 2
            84   79  80 1
            85   80  81 2
            86   81  82 1
            87   82  83 2
            88   78  83 1
BRACKET     1    18.2000  -26.0400   18.2000  -10.7100
            1    31.2200  -10.7100   31.2200  -26.0400
            1  2
 ORIGINAL  1    1   2   3   4   5   8  20  21  22  23  24  27   9  10  11  12
            1   13  14  15  17  18  19  16   7  25  26  28  29  31  32  33  34
            1   35  36  30   6  37  38  39  40  41
 REPEAT    1   43  44  45  46  47  48  49  50  51  52  53  54  55  56  57  58
            1   59  60  61  62  63  64  65  66  67  68  69  70  71  72  73  74
            1   75  76  77  78  79  80  81  82  83

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