KEGG   DRUG: AcemetacinHelp
Entry
D01582                      Drug                                   

Name
Acemetacin (JP17/INN);
Rantudil (TN)
Formula
C21H18ClNO6
Exact mass
415.0823
Mol weight
415.8237
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01906  Antiinflammatory drug, acetic acid derivatives
  DG01899  Antiinflammatory drug, indoleacetic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01906  Antiinflammatory drug, acetic acid derivatives
   DG01899  Antiinflammatory 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
Drug 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
Drug classes of therapeutic agents [br08360.html]
 Antirheumatic and antigout agents
  D01582
 Anesthetics, analgesics and anti-inflammatory drugs
  D01582
Prodrugs [br08324.html]
 D01582
BRITE hierarchy
Other DBs
CAS: 53164-05-9
PubChem: 7848645
ChEBI: 31162
ChEMBL: CHEMBL189171
LigandBox: D01582
NIKKAJI: J3.194A
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system