KEGG   DRUG: TheofibrateHelp
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
Class
Cardiovascular agent
 DG01946  Hypolipidemic agent
  DG01547  Fibrates
Other
 DG01733  PPAR agonist
  DG01547  Fibrates
Remark
ATC code: 
Chemical group: 
Activity
Antihyperlipidemic, Triglyceride synthesis inhibitor, Peroxisome proliferator-activated receptor (PPAR) alpha agonist
Comment
Clofibrate derivative
Target
NR1C1 (PPARA) [HSA:5465] [KO:K07294]
  Pathway
PPAR signaling pathway
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)
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)
BRITE hierarchy
Other DBs
CAS: 
54504-70-0
PubChem: 
ChEMBL: 
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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