KEGG   DRUG: Atorvastatin
Entry
D07474                      Drug                                   
Name
Atorvastatin (INN);
Lipitor (TN);
Sortis (TN)
Product
  Generic
ATORVASTATIN CALCIUM (Bryant Ranch Prepack)
Formula
C33H35FN2O5
Exact mass
558.253
Mol weight
558.6398
Structure
Simcomp
Class
Hypolipidemic agent
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
Remark
Same as: C06834
ATC code: C10AA05
Chemical structure group: DG00355
Product (DG00355): D07474<US> D02258<JP/US> D11095<US>
Product (mixture): D10385<JP/US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
Structure map
map07024  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
      D07474  Atorvastatin (INN) <US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D07474  Atorvastatin (INN)
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
     D07474  Atorvastatin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
     D07474  Atorvastatin
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
    D07474  Atorvastatin
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
    D07474  Atorvastatin
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
    D07474  Atorvastatin
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
    D07474  Atorvastatin
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D07474  Atorvastatin (INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07474
 Drug transporters
  D07474
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
Other DBs
CAS: 134523-00-5
PubChem: 51091801
ChEBI: 39548
PDB-CCD: 117[PDBj]
LigandBox: D07474
NIKKAJI: J596.930A
LinkDB
KCF data

ATOM        41
            1   C8y C    26.8100  -17.9900
            2   C8y C    25.4100  -17.9900
            3   C8y C    27.2300  -16.7300
            4   C8y C    27.5800  -19.0400
            5   N4y N    25.0600  -16.6600
            6   C8y C    24.6400  -19.0400
            7   C8y C    26.1100  -15.8900
            8   C5a C    28.4900  -15.9600
            9   C8x C    26.8800  -20.2300
            10  C8x C    28.9100  -19.0400
            11  C1b C    23.8000  -15.8200
            12  C8x C    25.3400  -20.1600
            13  C8x C    23.3100  -19.0400
            14  C1c C    26.1100  -14.2100
            15  N1b N    29.7500  -16.5900
            16  O5a O    28.4900  -14.7000
            17  C8x C    27.5800  -21.4200
            18  C8x C    29.5400  -20.2300
            19  C1b C    22.5400  -16.5900
            20  C8x C    24.6400  -21.3500
            21  C8x C    22.6100  -20.1600
            22  C1a C    27.6500  -13.3700
            23  C1a C    24.6400  -13.3700
            24  C8y C    31.0100  -15.8200
            25  C8x C    28.9100  -21.4200
            26  C1c C    21.2800  -15.9600
            27  C8y C    23.3100  -21.3500
            28  C8x C    31.0100  -14.4900
            29  C8x C    32.1300  -16.5200
            30  C1b C    20.0200  -16.7300
            31  O1a O    21.2800  -14.5600
            32  X   F    22.6100  -22.4700
            33  C8x C    32.1300  -13.7900
            34  C8x C    33.3200  -15.8200
            35  C1c C    18.8300  -15.9600
            36  C8x C    33.3200  -14.4900
            37  C1b C    17.5000  -16.7300
            38  O1a O    18.8300  -14.4900
            39  C6a C    16.2400  -15.9600
            40  O6a O    14.9800  -16.6600
            41  O6a O    16.2400  -14.4900
BOND        44
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            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    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 2
            17   10  18 1
            18   11  19 1
            19   12  20 1
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   15  24 1
            24   17  25 1
            25   19  26 1
            26   20  27 2
            27   24  28 2
            28   24  29 1
            29   26  30 1
            30   26  31 1 #Down
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   30  35 1
            35   33  36 2
            36   35  37 1
            37   35  38 1 #Down
            38   37  39 1
            39   39  40 1
            40   39  41 2
            41    5   7 1
            42   18  25 2
            43   21  27 1
            44   34  36 1

» Japanese version   » Back

KEGG   DRUG: Atorvastatin calcium anhydorous
Entry
D00887                      Drug                                   
Name
Atorvastatin calcium anhydorous;
Lipitor (TN)
Formula
(C33H34FN2O5)2. Ca
Exact mass
1154.4529
Mol weight
1155.3417
Structure
Simcomp
Class
Hypolipidemic agent
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
Remark
ATC code: C10AA05
Chemical structure group: DG00355
Product (DG00355): D07474<US> D02258<JP/US> D11095<US>
Product (mixture): D08488<JP/US> D10385<JP/US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Comment
Atorvastatin promotes up-regulation of low-density lipoprotein (LDL) receptors.
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
Structure map
map07024  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 anhydorous
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
     D00887  Atorvastatin calcium anhydorous
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
     D00887  Atorvastatin calcium anhydorous
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
    D00887  Atorvastatin calcium anhydorous
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
    D00887  Atorvastatin calcium anhydorous
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
    D00887  Atorvastatin calcium anhydorous
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
    D00887  Atorvastatin calcium anhydorous
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D00887  Atorvastatin calcium anhydorous
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00887
 Drug transporters
  D00887
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
Other DBs
CAS: 134523-03-8
PubChem: 7847951
ChEBI: 2911 50686
LigandBox: D00887
NIKKAJI: J426.140B
LinkDB
KCF data

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

» Japanese version   » Back

KEGG   DRUG: Atorvastatin calcium
Entry
D02258                      Drug                                   
Name
Atorvastatin calcium (USP);
Atorvastatin calcium hydrate (JP18);
Atorvastatin calcium trihydrate;
Lipitor (TN)
Product
ATORVALIQ (CMP Pharma), LIPITOR (Parke-Davis Div of Pfizer)
  Generic
ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (A-S Medication Solutions), ATORVASTATIN CALCIUM (Accord Healthcare), ATORVASTATIN CALCIUM (Agnitio), ATORVASTATIN CALCIUM (American Health Packaging), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Aphena Pharma Solutions - Tennessee), ATORVASTATIN CALCIUM (Ascend Laboratories), ATORVASTATIN CALCIUM (Biocon Pharma Inc.,), ATORVASTATIN CALCIUM (Biocon Pharma), 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 (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 (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 (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 107), ATORVASTATIN CALCIUM (Cipla USA Inc.,), ATORVASTATIN CALCIUM (DIRECT RX), ATORVASTATIN CALCIUM (DIRECT RX), ATORVASTATIN CALCIUM (Denton Pharma), ATORVASTATIN CALCIUM (Denton Pharma), ATORVASTATIN CALCIUM (DirectRX), ATORVASTATIN CALCIUM (DirectRx), ATORVASTATIN CALCIUM (Direct_Rx), ATORVASTATIN CALCIUM (Direct_Rx), ATORVASTATIN CALCIUM (Dr. Reddy's Laboratories Limited), ATORVASTATIN CALCIUM (Dr. Reddy's Laboratories Limited), ATORVASTATIN CALCIUM (Dr. Reddy's Laboratories), ATORVASTATIN CALCIUM (Golden State Medical Supply), ATORVASTATIN CALCIUM (Graviti Pharmaceuticals Private Limited), ATORVASTATIN CALCIUM (Greenstone LLC), ATORVASTATIN CALCIUM (Lannett Company), ATORVASTATIN CALCIUM (Lepu Pharmaceutical Technology), ATORVASTATIN CALCIUM (Lupin Pharmaceuticals), ATORVASTATIN CALCIUM (MSN LABORATORIES PRIVATE LIMITED), ATORVASTATIN CALCIUM (Micro Labs Limited), ATORVASTATIN CALCIUM (Mylan Institutional), ATORVASTATIN CALCIUM (Mylan Pharmaceuticals), ATORVASTATIN CALCIUM (NIVAGEN PHARMACEUTICALS), ATORVASTATIN CALCIUM (Northstar Rx LLC.), ATORVASTATIN CALCIUM (Northwind Pharmaceuticals), ATORVASTATIN CALCIUM (Novadoz Pharmaceuticals LLC), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (NuCare Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (PD-Rx Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceutical), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Preferred Pharmaceuticals), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (Proficient Rx LP), ATORVASTATIN CALCIUM (QPharma), ATORVASTATIN CALCIUM (QPharma), ATORVASTATIN CALCIUM (QPharma), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (REMEDYREPACK), ATORVASTATIN CALCIUM (RedPharm Drug), ATORVASTATIN CALCIUM (ST. MARY'S MEDICAL PARK PHARMACY), ATORVASTATIN CALCIUM (Sandoz), ATORVASTATIN CALCIUM (ScieGen Pharmaceuticals), ATORVASTATIN CALCIUM (St Mary's Medical Park Pharmacy), ATORVASTATIN CALCIUM (St. Mary's Medical Park Pharmacy), ATORVASTATIN CALCIUM (St. Mary's Medical Park Pharmacy), ATORVASTATIN CALCIUM (Sun Pharmaceutical Industries), ATORVASTATIN CALCIUM (Teva Pharmaceuticals USA), ATORVASTATIN CALCIUM (Zydus Lifesciences Limited), ATORVASTATIN CALCIUM (Zydus Pharmaceuticals USA)
Formula
(C33H34FN2O5)2. 3H2O. Ca
Exact mass
1208.4846
Mol weight
1209.3876
Structure
Simcomp
Class
Hypolipidemic agent
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
 DG02856  SLCO1B1 substrate
 DG02932  SLCO1B3 substrate
Remark
Therapeutic category: 2189
ATC code: C10AA05
Chemical structure group: DG00355
Product (DG00355): D07474<US> D02258<JP/US> D11095<US>
Product (mixture): D08488<JP/US> D10385<JP/US>
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
  Disease
Hyperlipidemia [DS:H01635]
Hypercholesterolemia [DS:H00155]
Myocardial infarction [DS:H01730]
Angina [DS:H01632]
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], SLCO1B1 [HSA:10599], SLCO1B3 [HSA:28234]
Interaction
Structure map
map07024  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
      D02258  Atorvastatin calcium (USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D02258  Atorvastatin calcium (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   218  Hyperlipidemia agents
    2189  Others
     D02258  Atorvastatin calcium (USP); Atorvastatin calcium hydrate (JP18)
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
     D02258  Atorvastatin calcium
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
     D02258  Atorvastatin calcium
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
    D02258  Atorvastatin calcium
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
    D02258  Atorvastatin calcium
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
    D02258  Atorvastatin calcium
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
    D02258  Atorvastatin calcium
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01946  Hypolipidemic agent
   D02258  Atorvastatin calcium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D02258  Atorvastatin calcium (USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02258  Atorvastatin calcium hydrate
  D02258  Atorvastatin calcium tablets
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02258
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02258
 Drug transporters
  D02258
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01660  HMG-CoA reductase inhibitor
    DG00355  Atorvastatin
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00355  Atorvastatin
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00355  Atorvastatin
  DG01913  ABCG2 substrate
   DG00355  Atorvastatin
  DG02856  SLCO1B1 substrate
   DG00355  Atorvastatin
  DG02932  SLCO1B3 substrate
   DG00355  Atorvastatin
Other DBs
CAS: 344423-98-9
PubChem: 7849317
ChEBI: 2911
LigandBox: D02258
NIKKAJI: J1.648.241B
LinkDB
KCF data

ATOM        86
            1   C8y C    22.6759  -21.0892
            2   C8y C    24.0739  -21.0892
            3   C8y C    24.4932  -19.7378
            4   N4y N    23.3749  -18.9456
            5   C8y C    22.2100  -19.7378
            6   C8y C    21.8371  -22.2075
            7   C1c C    25.7980  -19.3184
            8   C8y C    20.9052  -19.3184
            9   C1b C    23.3749  -17.5477
            10  C1b C    24.5865  -16.8487
            11  C1c C    24.5865  -15.4508
            12  O1a O    25.7980  -14.7519
            13  C1b C    23.3749  -14.7519
            14  C1c C    23.3749  -13.3539
            15  C1b C    24.5865  -12.6550
            16  O1a O    22.1634  -12.6550
            17  C6a C    25.9844  -12.6550
            18  O6a O    26.6834  -13.8666 #-
            19  O6a O    26.6834  -11.4435
            20  C8x C    20.6256  -17.9205
            21  C8x C    19.2743  -17.5011
            22  C8y C    18.2492  -18.4331
            23  C8x C    18.5288  -19.8310
            24  C8x C    19.8800  -20.2504
            25  C1a C    26.8697  -20.2504
            26  C1a C    26.1241  -17.9205
            27  X   F    16.8979  -18.0137
            28  C5a C    24.8881  -22.1939
            29  N1b N    26.2874  -22.1939
            30  O5a O    24.2674  -23.4227
            31  C8y C    26.9855  -23.4031
            32  C8x C    26.3066  -24.5794
            33  C8x C    27.0062  -25.7913
            34  C8x C    28.4055  -25.7912
            35  C8x C    29.0846  -24.6148
            36  C8x C    28.3848  -23.4030
            37  C8x C    20.4310  -22.1443
            38  C8x C    19.6783  -23.3240
            39  C8x C    20.3236  -24.6356
            40  C8x C    21.7318  -24.6282
            41  C8x C    22.4845  -23.4486
            42  Z   Ca   31.9955  -16.4087 #2+
            43  O0  O    33.3743  -18.9605
            44  C8y C    22.6759  -21.0892
            45  C8y C    24.0739  -21.0892
            46  C8y C    24.4932  -19.7378
            47  N4y N    23.3749  -18.9456
            48  C8y C    22.2100  -19.7378
            49  C8y C    20.9052  -19.3184
            50  C8x C    20.6256  -17.9205
            51  C8x C    19.2743  -17.5011
            52  C8y C    18.2492  -18.4331
            53  C8x C    18.5288  -19.8310
            54  C8x C    19.8800  -20.2504
            55  X   F    16.8979  -18.0137
            56  C1b C    23.3749  -17.5477
            57  C1b C    24.5865  -16.8487
            58  C1c C    24.5865  -15.4508
            59  O1a O    25.7980  -14.7519
            60  C1b C    23.3749  -14.7519
            61  C1c C    23.3749  -13.3539
            62  C1b C    24.5865  -12.6550
            63  C6a C    25.9844  -12.6550
            64  O6a O    26.6834  -13.8666 #-
            65  O6a O    26.6834  -11.4435
            66  O1a O    22.1634  -12.6550
            67  C1c C    25.7980  -19.3184
            68  C1a C    26.8697  -20.2504
            69  C1a C    26.1241  -17.9205
            70  C5a C    24.8881  -22.1939
            71  N1b N    26.2874  -22.1939
            72  C8y C    26.9855  -23.4031
            73  C8x C    26.3066  -24.5794
            74  C8x C    27.0062  -25.7913
            75  C8x C    28.4055  -25.7912
            76  C8x C    29.0846  -24.6148
            77  C8x C    28.3848  -23.4030
            78  O5a O    24.2674  -23.4227
            79  C8y C    21.8371  -22.2075
            80  C8x C    20.4310  -22.1443
            81  C8x C    19.6783  -23.3240
            82  C8x C    20.3236  -24.6356
            83  C8x C    21.7318  -24.6282
            84  C8x C    22.4845  -23.4486
            85  O0  O    33.3743  -18.9605
            86  O0  O    33.3743  -18.9605
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   44  45 1
            46   45  46 2
            47   46  47 1
            48   47  48 1
            49   44  48 2
            50   44  79 1
            51   46  67 1
            52   48  49 1
            53   47  56 1
            54   56  57 1
            55   58  57 1 #Down
            56   58  59 1
            57   58  60 1
            58   60  61 1
            59   61  62 1
            60   61  66 1 #Up
            61   62  63 1
            62   63  64 1
            63   63  65 2
            64   49  50 2
            65   50  51 1
            66   51  52 2
            67   52  53 1
            68   53  54 2
            69   49  54 1
            70   67  68 1
            71   67  69 1
            72   52  55 1
            73   45  70 1
            74   70  71 1
            75   70  78 2
            76   71  72 1
            77   72  73 2
            78   73  74 1
            79   74  75 2
            80   75  76 1
            81   76  77 2
            82   72  77 1
            83   79  80 2
            84   80  81 1
            85   81  82 2
            86   82  83 1
            87   83  84 2
            88   79  84 1
BRACKET     1    16.2400  -26.0400   16.2400  -10.7100
            1    29.2600  -10.7100   29.2600  -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   44  45  46  47  48  49  50  51  52  53  54  55  56  57  58  59
            1   60  61  62  63  64  65  66  67  68  69  70  71  72  73  74  75
            1   76  77  78  79  80  81  82  83  84
            2    31.0800  -19.9500   31.0800  -17.9200
            2    34.0900  -17.9200   34.0900  -19.9500
            2  3
 ORIGINAL  2   43
 REPEAT    2   85  86

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