KEGG   DRUG: Simfibrate
Entry
D01212                      Drug                                   
Name
Simfibrate (JAN/INN);
Cholesolvin (TN)
Formula
C23H26Cl2O6
Exact mass
468.1106
Mol weight
469.3549
Structure
Simcomp
Class
Hypolipidemic agent
 DG01946  Hypolipidemic agent
  DG01733  PPAR alpha agonist
   DG01547  Fibrate
Remark
ATC code: C10AB06
Efficacy
Antihyperlipidemic
Comment
Clofibrate derivative
Interaction
Structure map
map07222  Peroxisome proliferator-activated receptor (PPAR) agonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AB Fibrates
     C10AB06 Simfibrate
      D01212  Simfibrate (JAN/INN)
Drug groups [BR:br08330]
 Hypolipidemic agent
  DG01946  Hypolipidemic agent
   DG01733  PPAR alpha agonist
    DG01547  Fibrate
     D01212  Simfibrate
Other DBs
CAS: 14929-11-4
PubChem: 7848275
ChEBI: 32131
LigandBox: D01212
NIKKAJI: J3.444D
KCF data

ATOM        31
            1   C8x C    13.9201  -17.1683
            2   C8y C    13.9201  -18.5684
            3   C8x C    15.1356  -19.2684
            4   C8x C    16.3439  -18.5684
            5   C8y C    16.3439  -17.1683
            6   C8x C    15.1356  -16.4682
            7   X   Cl   12.7081  -19.2691
            8   O2a O    17.5570  -16.4691
            9   C1d C    18.7690  -17.1701
            10  C7a C    19.9821  -16.4709
            11  C1a C    17.7669  -18.1582
            12  C1a C    19.7539  -18.1582
            13  O7a O    21.1940  -17.1718
            14  O6a O    19.9831  -15.0708
            15  C1b C    22.4071  -16.4728
            16  C1b C    23.6191  -17.1737
            17  C1b C    24.8320  -16.4745
            18  O7a O    26.0441  -17.1756
            19  C7a C    27.2572  -16.4764
            20  C1d C    28.4691  -17.1773
            21  O2a O    29.6821  -16.4782
            22  C1a C    27.4686  -18.1653
            23  C1a C    29.4556  -18.1653
            24  C8y C    30.8942  -17.1791
            25  C8x C    30.8896  -18.5750
            26  C8x C    32.1017  -19.2761
            27  C8y C    33.3147  -18.5769
            28  C8x C    33.3158  -17.1768
            29  C8x C    32.1037  -16.4759
            30  X   Cl   34.5266  -19.2777
            31  O6a O    27.2582  -15.0763
BOND        32
            1     1   2 2
            2    15  16 1
            3     5   8 1
            4    16  17 1
            5     2   3 1
            6    17  18 1
            7     8   9 1
            8    18  19 1
            9     3   4 2
            10   19  20 1
            11    9  10 1
            12   20  21 1
            13    4   5 1
            14   20  22 1
            15    9  11 1
            16   20  23 1
            17    5   6 2
            18   21  24 1
            19    9  12 1
            20    6   1 1
            21   10  13 1
            22   10  14 2
            23   24  25 2
            24   25  26 1
            25   26  27 2
            26   27  28 1
            27   28  29 2
            28   29  24 1
            29    2   7 1
            30   27  30 1
            31   13  15 1
            32   19  31 2

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