KEGG   DRUG: Polmacoxib
Entry
D10656                      Drug                                   
Name
Polmacoxib (USAN/INN)
Formula
C18H16FNO4S
Exact mass
361.0784
Mol weight
361.39
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01922  Selective COX2 inhibitor
   DG01907  Anti-inflammatory drug, coxibs
Remark
ATC code: M01AH07
Efficacy
Anti-inflammatory, COX-2 inhibitor
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AH Coxibs
     M01AH07 Polmacoxib
      D10656  Polmacoxib (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01922  Selective COX2 inhibitor
    DG01907  Anti-inflammatory drug, coxibs
     D10656  Polmacoxib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D10656  Polmacoxib (USAN/INN)
Other DBs
CAS: 301692-76-2
PubChem: 254741617
PDB-CCD: 949[PDBj]
LinkDB
KCF data

ATOM        25
            1   C1z C    24.5700  -16.6600
            2   O2x O    23.7300  -15.5400
            3   C2y C    22.4000  -15.9600
            4   C2y C    22.4000  -17.3600
            5   C5x C    23.7300  -17.7800
            6   O5x O    24.2900  -19.3200
            7   C8x C    18.7600  -18.0600
            8   C8x C    18.7600  -19.4600
            9   C8y C    19.9500  -20.1600
            10  C8x C    21.2100  -19.4600
            11  C8y C    21.2100  -18.0600
            12  C8x C    19.9500  -17.3600
            13  C8y C    18.7600  -13.8600
            14  C8x C    18.7600  -15.2600
            15  C8x C    19.9500  -15.9600
            16  C8y C    21.2100  -15.2600
            17  C8x C    21.2100  -13.8600
            18  C8x C    19.9500  -13.1600
            19  S4a S    17.5700  -13.1600
            20  O3c O    18.2700  -11.9700
            21  O3c O    16.8700  -14.4200
            22  N1a N    16.3100  -12.4600
            23  C1a C    25.6200  -15.8200
            24  C1a C    25.7600  -17.3600
            25  X   F    19.9500  -21.5600
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   11   4 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16   3 1
            21   13  19 1
            22   19  20 2
            23   19  21 2
            24   19  22 1
            25    1  23 1
            26    1  24 1
            27    9  25 1

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