KEGG   DRUG: D06102Help
Entry
D06102                      Drug                                   

Name
Theofibrate (USAN);
Etofylline clofibrate (INN);
Duolip (TN)
Formula
C19H21ClN4O5
Exact mass
420.12
Mol weight
420.8468
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihyperlipoproteinemic
Remark
ATC code: 
Drug group: 
Target
peroxisome proliferator-activated receptor (PPAR) alpha agonist [HSA:5465] [KO:K07294]
  Pathway
hsa03320  PPAR signaling pathway
hsa04920  Adipocytokine signaling pathway  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AB Fibrates
     C10AB01 Clofibrate
      D06102  Theofibrate (USAN); Etofylline clofibrate (INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Peroxisome proliferator-activated receptor (PPAR)
    peroxisome proliferator-activated receptor (PPAR) alpha
     Clofibrate
      D06102  Theofibrate (USAN); Etofylline clofibrate (INN)
BRITE hierarchy
Other DBs
CAS: 
54504-70-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    24.5000  -18.3400
            2   O2a O    25.7600  -17.6400
            3   C1d C    26.9500  -18.3400
            4   C7a C    28.1400  -17.6400
            5   O7a O    29.4000  -18.3400
            6   O6a O    28.1400  -16.2400
            7   C1b C    30.5900  -17.6400
            8   C1b C    31.7800  -18.3400
            9   C8x C    23.3100  -17.6400
            10  C8x C    22.0500  -18.3400
            11  C8y C    22.0500  -19.7400
            12  C8x C    23.2400  -20.4400
            13  C8x C    24.5000  -19.7400
            14  X   Cl   20.8600  -20.3700
            15  C1a C    25.9700  -19.3200
            16  C1a C    27.9300  -19.3200
            17  N4y N    31.7686  -19.7400
            18  C8x C    30.9094  -20.8364
            19  N5x N    31.6835  -21.9918
            20  C8y C    33.0216  -21.6127
            21  C8y C    33.0745  -20.2229
            22  N4y N    34.2065  -22.3583
            23  C8y C    35.4447  -21.7049
            24  N4y N    35.4276  -20.3151
            25  C8y C    34.3126  -19.5695
            26  O5x O    34.2945  -18.2015
            27  O5x O    36.6096  -22.4381
            28  C1a C    36.6587  -19.6476
            29  C1a C    34.2248  -23.7280
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     1   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    1  13 1
            14   11  14 1
            15    3  15 1
            16    3  16 1
            17    8  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   17  21 1
            23   20  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   21  25 1
            28   25  26 2
            29   23  27 2
            30   24  28 1
            31   22  29 1

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