KEGG   DRUG: Cerivastatin
Entry
D07661                      Drug                                   

Name
Cerivastatin (INN)
Formula
C26H34FNO5
Exact mass
459.2421
Mol weight
459.5503
Structure
Simcomp
Class
Cardiovascular agent
 DG01660  HMG-CoA reductase inhibitor
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C07966
ATC code: C10AA06
Chemical structure group: DG00356
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576]
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
     C10AA06 Cerivastatin
      D07661  Cerivastatin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D07661  Cerivastatin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07661
Other DBs
CAS: 145599-86-6
PubChem: 51091965
ChEBI: 3558
ChEMBL: CHEMBL1477
DrugBank: DB00439
LigandBox: D07661
NIKKAJI: J934.489F
LinkDB
KCF data

ATOM        33
            1   C8y C    21.7700  -17.8500
            2   C8y C    21.7700  -19.3200
            3   C8y C    20.5100  -17.2200
            4   C8y C    22.9600  -17.1500
            5   C8y C    20.5100  -20.0200
            6   C2b C    22.9600  -19.9500
            7   C8y C    19.3200  -17.9200
            8   C1b C    20.5100  -15.7500
            9   C8x C    24.1500  -17.8500
            10  C8x C    22.9600  -15.7500
            11  N5x N    19.3200  -19.3200
            12  C1c C    20.5100  -21.4200
            13  C2b C    24.1500  -19.2500
            14  C1c C    18.1300  -17.2200
            15  O2a O    19.3200  -15.1200
            16  C8x C    25.3400  -17.1500
            17  C8x C    24.1500  -15.0500
            18  C1a C    19.3200  -22.1200
            19  C1a C    21.7700  -22.1200
            20  C1c C    25.3400  -19.9500
            21  C1a C    18.1300  -15.7500
            22  C1a C    16.8700  -17.9200
            23  C1a C    19.3200  -13.7200
            24  C8y C    25.3400  -15.7500
            25  C1b C    26.6000  -19.2500
            26  O1a O    25.3400  -21.3500
            27  X   F    26.6000  -15.0500
            28  C1c C    27.7900  -19.9500
            29  C1b C    28.9800  -19.2500
            30  O1a O    27.7900  -21.3500
            31  C6a C    30.2400  -19.9500
            32  O6a O    30.2400  -21.3500
            33  O6a O    31.4300  -19.2500
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 2
            17   12  18 1
            18   12  19 1
            19   13  20 1
            20   14  21 1
            21   14  22 1
            22   15  23 1
            23   16  24 2
            24   20  25 1
            25   20  26 1 #Down
            26   24  27 1
            27   25  28 1
            28   28  29 1
            29   28  30 1 #Down
            30   29  31 1
            31   31  32 2
            32   31  33 1
            33    7  11 2
            34   17  24 1

» Japanese version   » Back

KEGG   DRUG: Cerivastatin sodium
Entry
D00889                      Drug                                   

Name
Cerivastatin sodium (JAN/USAN);
Baycol (TN)
Formula
C26H33FNO5. Na
Exact mass
481.224
Mol weight
481.5321
Structure
Simcomp
Class
Cardiovascular agent
 DG01660  HMG-CoA reductase inhibitor
 DG01946  Hypolipidemic agent
  DG01660  HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: C10AA06
Chemical structure group: DG00356
Efficacy
Antihyperlipidemic, HMG-CoA reductase inhibitor
Target
HMGCR [HSA:3156] [KO:K00021]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Metabolism
Enzyme: CYP2C8 [HSA:1558], CYP3A4 [HSA:1576]
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
     C10AA06 Cerivastatin
      D00889  Cerivastatin sodium (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D00889  Cerivastatin sodium (JAN/USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00889
Other DBs
CAS: 143201-11-0
PubChem: 7847953
ChEBI: 3559
ChEMBL: CHEMBL1200563
DrugBank: DB00439
LigandBox: D00889
NIKKAJI: J712.494E
LinkDB
KCF data

ATOM        34
            1   C8y C    23.3814  -15.9721
            2   C8y C    23.3814  -17.3828
            3   C8y C    22.1630  -15.2726
            4   C8y C    24.5938  -15.2609
            5   C8y C    22.1630  -18.0881
            6   C2b C    24.5881  -18.0707
            7   C8y C    20.9621  -15.9779
            8   C1b C    22.1571  -13.8735
            9   C8x C    25.8062  -15.9662
            10  C8x C    24.5764  -13.8678
            11  N5x N    20.9564  -17.3828
            12  C1c C    22.1630  -19.4929
            13  C2b C    25.8005  -17.3712
            14  C1c C    19.7438  -15.2726
            15  O2a O    20.9504  -13.1799
            16  C8x C    27.0129  -15.2609
            17  C8x C    25.7829  -13.1624
            18  C1a C    20.9564  -20.1867
            19  C1a C    23.3814  -20.1867
            20  C1c C    27.0129  -18.0648
            21  C1a C    19.7438  -13.8735
            22  C1a C    18.5313  -15.9779
            23  C1a C    20.9447  -11.7809
            24  C8y C    27.0129  -13.8561
            25  C1b C    28.2255  -17.3653
            26  O1a O    27.0129  -19.4698
            27  X   F    28.2196  -13.1507
            28  C1c C    29.4379  -18.0531
            29  C1b C    30.6388  -17.3595
            30  O1a O    29.4379  -19.4579
            31  C6a C    31.8513  -18.0474
            32  O6a O    33.0637  -17.3536 #-
            33  O6a O    31.8572  -19.4522
            34  Z   Na   34.4400  -17.3600 #+
BOND        34
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 2
            17   12  18 1
            18   12  19 1
            19   13  20 1
            20   14  21 1
            21   14  22 1
            22   15  23 1
            23   16  24 2
            24   20  25 1
            25   20  26 1 #Down
            26   24  27 1
            27   25  28 1
            28   28  29 1
            29   28  30 1 #Down
            30   29  31 1
            31   31  32 1
            32   31  33 2
            33    7  11 2
            34   17  24 1

» Japanese version   » Back

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