KEGG   DRUG: Mavacoxib
Entry
D04863                      Drug                                   

Name
Mavacoxib (USAN)
Formula
C16H11F4N3O2S
Exact mass
385.0508
Mol weight
385.3361
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01922  Selective COX2 inhibitor
   DG01907  Anti-inflammatory drug, coxibs
 DG01922  Selective COX2 inhibitor
  DG01907  Anti-inflammatory drug, coxibs
Efficacy
Analgesic, Anti-inflammatory, COX-2 inhibitor
Comment
Coxibs
Treatment of pain, inflammation, and fever
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D04863  Mavacoxib (USAN)
Other DBs
CAS: 170569-88-7
PubChem: 47206637
ChEBI: 76207
ChEMBL: CHEMBL28527
LigandBox: D04863
LinkDB
KCF data

ATOM        26
            1   C8y C    28.4441  -19.6634
            2   C1d C    29.8457  -19.6634
            3   N5x N    27.6031  -18.5422
            4   N4y N    26.2950  -18.9626
            5   C8y C    26.2950  -20.3642
            6   C8x C    27.6031  -20.7847
            7   X   F    29.8457  -21.0650
            8   X   F    31.2472  -19.6634
            9   X   F    29.8457  -18.2619
            10  C8y C    22.6509  -16.8603
            11  C8x C    22.6509  -18.2619
            12  C8x C    23.8656  -18.9626
            13  C8y C    25.0803  -18.2619
            14  C8x C    25.0803  -16.8603
            15  C8x C    23.8656  -16.1595
            16  C8x C    22.6509  -21.0650
            17  C8y C    22.6509  -22.4666
            18  C8x C    23.8656  -23.1674
            19  C8x C    25.0803  -22.4666
            20  C8y C    25.0803  -21.0650
            21  C8x C    23.8656  -20.3642
            22  X   F    21.4372  -23.1676
            23  S4a S    21.4372  -16.1593
            24  O3c O    22.1370  -14.9447
            25  O3c O    20.7354  -17.3742
            26  N1a N    20.2215  -15.4587
BOND        28
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     2   8 1
            9     2   9 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   13   4 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   16  21 1
            23   20   5 1
            24   17  22 1
            25   10  23 1
            26   23  24 2
            27   23  25 2
            28   23  26 1

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