KEGG   DRUG: Indometacin farnesil
Entry
D01565                      Drug                                   

Name
Indometacin farnesil (JAN);
Infree (TN)
Formula
C34H40ClNO4
Exact mass
561.2646
Mol weight
562.1387
Structure
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01899  Anti-inflammatory drug, indoleacetic acid derivatives
Remark
Therapeutic category: 1145
ATC code: C01EB03 M01AB01 M02AA23 S01BC01
Chemical structure group: DG00241
Product (DG00241): D00141<JP/US> D01565<JP> D02110<JP/US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Indole acetic acid derivative
Active form of prodrug: Indometacin [DR:D00141]
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB03 Indometacin
      D01565  Indometacin farnesil (JAN) <JP>
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB01 Indometacin
      D01565  Indometacin farnesil (JAN) <JP>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA23 Indometacin
      D01565  Indometacin farnesil (JAN) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC01 Indometacin
      D01565  Indometacin farnesil (JAN) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Indomethacin
    D01565  Indometacin farnesil (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1145  Indomethacins
     D01565  Indometacin farnesil (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Indometacin
    D01565  Indometacin farnesil (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01565  Indometacin farnesil (JAN) <JP>
    PTGS2 (COX2)
     D01565  Indometacin farnesil (JAN) <JP>
Prodrugs [br08324.html]
 D01565
Other DBs
CAS: 85801-02-1
PubChem: 7848628
ChEBI: 31698
ChEMBL: CHEMBL3186966
DrugBank: DB00328
LigandBox: D01565
NIKKAJI: J23.009J
LinkDB
KCF data

ATOM        40
            1   C8y C    16.2574  -17.8893
            2   C8y C    16.2492  -19.3361
            3   C1a C    17.5115  -20.0708
            4   C7a C    18.7741  -17.9038
            5   C1b C    17.5200  -17.1691
            6   C8y C    13.9595  -19.2253
            7   C8y C    13.9595  -17.8952
            8   N4y N    15.1153  -19.8944
            9   C8x C    12.7964  -19.8806
            10  C8x C    12.7964  -17.2188
            11  C5a C    15.1109  -21.2096
            12  C8x C    11.6544  -19.2253
            13  C8y C    11.6544  -17.8952
            14  C8y C    14.2929  -21.6415
            15  O2a O    10.5135  -17.2397
            16  C8x C    13.1448  -20.9522
            17  C8x C    14.2567  -22.9696
            18  C1a C     9.3716  -17.9090
            19  C8x C    11.9779  -21.5907
            20  C8x C    13.1052  -23.6075
            21  C8y C    11.9640  -22.9158
            22  X   Cl   10.8157  -23.5599
            23  O7a O    20.0364  -17.1837
            24  O6a O    18.7741  -19.3505
            25  C1b C    21.2913  -17.9168
            26  C2b C    22.5538  -17.1966
            27  C2c C    23.8087  -17.9297
            28  C1b C    25.0712  -17.2094
            29  C1a C    23.8013  -19.3831
            30  C1b C    26.3262  -17.9427
            31  C2b C    27.5885  -17.2224
            32  C2c C    28.8436  -17.9556
            33  C1b C    30.1059  -17.2353
            34  C1a C    28.8362  -19.4089
            35  C1b C    31.3608  -17.9686
            36  C2b C    32.6233  -17.2483
            37  C2c C    33.8783  -17.9815
            38  C1a C    35.1408  -17.2612
            39  C1a C    33.8708  -19.4348
            40  O5a O    16.3155  -21.9386
BOND        42
            1    14  16 2
            2    14  17 1
            3    15  18 1
            4    16  19 1
            5    17  20 2
            6    19  21 2
            7    21  22 1
            8    12  13 1
            9    20  21 1
            10    4   5 1
            11    4  23 1
            12    5   1 1
            13    4  24 2
            14   23  25 1
            15    1   2 2
            16   25  26 1
            17    2   3 1
            18   26  27 2
            19    6   7 2
            20   27  28 1
            21    6   8 1
            22   27  29 1
            23    6   9 1
            24   28  30 1
            25    7   1 1
            26   30  31 1
            27    7  10 1
            28   31  32 2
            29    8   2 1
            30   32  33 1
            31    8  11 1
            32   32  34 1
            33    9  12 2
            34   33  35 1
            35   10  13 2
            36   35  36 1
            37   11  14 1
            38   36  37 2
            39   37  38 1
            40   13  15 1
            41   37  39 1
            42   11  40 2

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