KEGG   DRUG: Acemetacin
Entry
D01582                      Drug                                   

Name
Acemetacin (JP17/INN);
Rantudil (TN)
Formula
C21H18ClNO6
Exact mass
415.0823
Mol weight
415.8237
Structure
Simcomp
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: M01AB11
Product: D01582<JP>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, 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]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AB Acetic acid derivatives and related substances
     M01AB11 Acemetacin
      D01582  Acemetacin (JP17/INN) <JP>
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
     D01582  Acemetacin (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01582  Acemetacin (JP17/INN) <JP>
    PTGS2 (COX2)
     D01582  Acemetacin (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01582  Acemetacin
  D01582  Acemetacin tablets
  D01582  Acemetacin capsules
Prodrugs [br08324.html]
 D01582
Other DBs
CAS: 53164-05-9
PubChem: 7848645
ChEBI: 31162
ChEMBL: CHEMBL189171
LigandBox: D01582
NIKKAJI: J3.194A
LinkDB
KCF data

ATOM        29
            1   C8y C    21.9781  -18.5377
            2   C8y C    21.9712  -20.0070
            3   C1a C    23.2493  -20.7477
            4   C7a C    24.5276  -18.5570
            5   C1b C    23.2564  -17.8092
            6   C8y C    19.6486  -19.8923
            7   C8y C    19.6486  -18.5426
            8   N4y N    20.8227  -20.5704
            9   C8x C    18.4682  -20.5587
            10  C8x C    18.4682  -17.8584
            11  C5a C    20.8020  -21.9407
            12  C8x C    17.3130  -19.8923
            13  C8y C    17.3130  -18.5426
            14  C8y C    19.9721  -22.3753
            15  O2a O    16.1585  -17.8830
            16  C8x C    18.8103  -21.6822
            17  C8x C    19.9398  -23.7251
            18  C1a C    14.9963  -18.5614
            19  C8x C    17.6276  -22.3322
            20  C8x C    18.7702  -24.3744
            21  C8y C    17.6107  -23.6731
            22  X   Cl   16.4534  -24.3307
            23  O7a O    25.8057  -17.8216
            24  O6a O    24.5276  -20.0193
            25  C1b C    27.0775  -18.5680
            26  C6a C    28.3627  -17.8398
            27  O6a O    29.6345  -18.5792
            28  O6a O    28.3690  -16.3649
            29  O5a O    21.9719  -22.6604
BOND        31
            1     6   8 1
            2     6   9 1
            3     7   1 1
            4     7  10 1
            5     8   2 1
            6     8  11 1
            7     9  12 2
            8    10  13 2
            9    11  14 1
            10   13  15 1
            11   14  16 2
            12   14  17 1
            13   15  18 1
            14   16  19 1
            15   17  20 2
            16   19  21 2
            17   21  22 1
            18   12  13 1
            19   20  21 1
            20    4   5 1
            21    4  23 1
            22    5   1 1
            23    4  24 2
            24   23  25 1
            25    1   2 2
            26   25  26 1
            27    2   3 1
            28   26  27 1
            29    6   7 2
            30   26  28 2
            31   11  29 2

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