KEGG   DRUG: Proglumetacin maleate
Entry
D01765                      Drug                                   

Name
Proglumetacin maleate (JAN);
Miridacin (TN)
Formula
C46H58ClN5O8. (C4H4O4)2
Exact mass
1075.4193
Mol weight
1076.5787
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: M01AB14
Chemical structure group: DG00750
Product (DG00750): D01765<JP>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Indole acetic acid derivative
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
     M01AB14 Proglumetacin
      D01765  Proglumetacin maleate (JAN) <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
     D01765  Proglumetacin maleate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01765  Proglumetacin maleate (JAN) <JP>
    PTGS2 (COX2)
     D01765  Proglumetacin maleate (JAN) <JP>
Other DBs
CAS: 59209-40-4
PubChem: 7848828
ChEBI: 32057
LigandBox: D01765
NIKKAJI: J352.947I
LinkDB
KCF data

ATOM        76
            1   C8y C    12.9204  -21.0220
            2   C8y C    12.9835  -22.4726
            3   C1a C    14.1756  -23.2039
            4   C7a C    15.4378  -21.0408
            5   C1b C    14.1826  -20.3025
            6   C8y C    10.6203  -22.3593
            7   C8y C    10.6203  -21.0268
            8   N4y N    11.7795  -23.0290
            9   C8x C     9.4551  -23.0174
            10  C8x C     9.4551  -20.3512
            11  C8x C     8.3144  -22.3593
            12  C8y C     8.3144  -21.0268
            13  O2a O     7.1745  -20.3755
            14  C1a C     6.0268  -21.0452
            15  O7a O    16.6998  -20.3149
            16  C1b C    17.9555  -21.0519
            17  C1b C    19.2042  -20.3246
            18  N1y N    20.4594  -21.0499
            19  C1x C    20.4589  -22.4998
            20  C1x C    21.7142  -23.2250
            21  N1y N    22.9702  -22.5005
            22  C1x C    22.9707  -21.0505
            23  C1x C    21.7153  -20.3254
            24  C1b C    24.1657  -23.1914
            25  C1b C    25.3553  -22.5005
            26  C1b C    26.5478  -23.1909
            27  O7a O    27.7403  -22.5005
            28  C7a C    28.9330  -23.1909
            29  C1b C    30.1255  -22.5005
            30  C1b C    31.3181  -23.1909
            31  C1c C    32.5107  -22.5005
            32  C5a C    33.7032  -23.1909
            33  N1c N    34.8958  -22.5005
            34  C1b C    36.0884  -23.1909
            35  C1b C    37.2810  -22.5005
            36  O6a O    28.9330  -24.5718
            37  N1b N    32.5107  -21.1196
            38  C5a C    31.3147  -20.4292
            39  C8y C    31.3147  -19.0483
            40  C8x C    32.5127  -18.3614
            41  C8x C    32.5127  -16.9804
            42  C8x C    31.3168  -16.2901
            43  C8x C    30.1210  -16.9804
            44  C8x C    30.1210  -18.3614
            45  O5a O    30.1190  -21.1196
            46  O5a O    33.7032  -24.5718
            47  C1a C    38.4778  -23.1895
            48  C1b C    34.8958  -21.1196
            49  C1b C    36.0917  -20.4292
            50  C1a C    36.0917  -19.0483
            51  O6a O    15.5007  -22.3936
            52  C5a C    11.7538  -24.3252
            53  C8y C    10.6223  -25.0204
            54  C8x C     9.4404  -24.2602
            55  C8x C     8.2067  -25.0133
            56  C8y C     8.2085  -26.3979
            57  C8x C     9.4260  -27.0986
            58  C8x C    10.6241  -26.4049
            59  X   Cl    7.0468  -27.0707
            60  O5a O    13.0678  -25.0141
            61  C6a C    15.3328  -17.9046
            62  C2b C    14.6549  -16.7427
            63  O6a O    14.6607  -19.0720
            64  O6a O    16.6748  -17.8987
            65  C2b C    13.0440  -16.7483
            66  C6a C    12.3788  -17.9159
            67  O6a O    11.0296  -17.9159
            68  O6a O    13.0554  -19.0777
            69  C6a C    15.3328  -17.9046
            70  C2b C    14.6549  -16.7427
            71  C2b C    13.0440  -16.7483
            72  C6a C    12.3788  -17.9159
            73  O6a O    11.0296  -17.9159
            74  O6a O    13.0554  -19.0777
            75  O6a O    14.6607  -19.0720
            76  O6a O    16.6748  -17.8987
BOND        78
            1    25  26 1
            2     9  11 2
            3    26  27 1
            4    10  12 2
            5    27  28 1
            6    28  29 1
            7    29  30 1
            8    12  13 1
            9    30  31 1
            10   31  32 1
            11   32  33 1
            12   13  14 1
            13   33  34 1
            14   34  35 1
            15   28  36 2
            16   31  37 1
            17   37  38 1
            18   11  12 1
            19   38  39 1
            20    4   5 1
            21    4  15 1
            22    5   1 1
            23   39  40 2
            24   40  41 1
            25   41  42 2
            26   42  43 1
            27   43  44 2
            28   44  39 1
            29   38  45 2
            30   15  16 1
            31   32  46 2
            32   35  47 1
            33   16  17 1
            34   33  48 1
            35    1   2 2
            36   48  49 1
            37   17  18 1
            38   49  50 1
            39    2   3 1
            40    6   7 2
            41    6   8 1
            42    6   9 1
            43    7   1 1
            44   18  19 1
            45   19  20 1
            46   20  21 1
            47   21  22 1
            48   22  23 1
            49   23  18 1
            50    7  10 1
            51   21  24 1
            52    8   2 1
            53   24  25 1
            54    4  51 2
            55    8  52 1
            56   52  53 1
            57   53  54 2
            58   54  55 1
            59   55  56 2
            60   56  57 1
            61   57  58 2
            62   53  58 1
            63   56  59 1
            64   52  60 2
            65   61  62 1
            66   61  63 1
            67   61  64 2
            68   62  65 2
            69   65  66 1
            70   66  67 1
            71   66  68 2
            72   69  70 1
            73   69  75 1
            74   69  76 2
            75   70  71 2
            76   71  72 1
            77   72  73 1
            78   72  74 2
BRACKET     1     9.5900  -19.6000    9.5900  -16.1700
            1    17.1500  -16.1700   17.1500  -19.6000
            1  2
 ORIGINAL  1   61  62  65  66  67  68  63  64
 REPEAT    1   69  70  71  72  73  74  75  76

» Japanese version   » Back

DBGET integrated database retrieval system