KEGG   DRUG: SimfibrateHelp
Entry
D01212                      Drug                                   

Name
Simfibrate (JAN/INN);
Cholesolvin (TN)
Formula
C23H26Cl2O6
Exact mass
468.1106
Mol weight
469.3549
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01946  Hypolipidemic agent
  DG01547  Fibrates
Other
 DG01733  PPAR agonist
  DG01547  Fibrates
Remark
ATC code: C10AB06
Efficacy
Antihyperlipidemic
Comment
Clofibrate derivative
Interaction
Drug 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)
BRITE hierarchy
Other DBs
CAS: 14929-11-4
PubChem: 7848275
ChEBI: 32131
ChEMBL: CHEMBL2105435
LigandBox: D01212
NIKKAJI: J3.444D
LinkDB All DBs
KCF data Show

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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