KEGG   DRUG: Tilmacoxib
Entry
D01974                      Drug                                   

Name
Tilmacoxib (JAN/USAN/INN)
Formula
C16H19FN2O3S
Exact mass
338.11
Mol weight
338.3971
Structure
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
Anti-inflammatory, COX-2 inhibitor
Comment
Coxibs
Treatment of osteoarthritis and rheumatoid arthritis
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)
     D01974  Tilmacoxib (JAN/USAN/INN)
Other DBs
CAS: 180200-68-4
PubChem: 7849036
ChEBI: 73041
ChEMBL: CHEMBL34913
LigandBox: D01974
LinkDB
KCF data

ATOM        23
            1   C8y C    28.3263  -18.5501
            2   C1a C    29.7290  -18.5501
            3   O2x O    27.4846  -17.4280
            4   C8y C    26.1755  -17.8487
            5   C8y C    26.1755  -19.2514
            6   N5x N    27.4846  -19.6722
            7   C8y C    22.5285  -15.7448
            8   C8y C    22.5285  -17.1475
            9   C8x C    23.7442  -17.8487
            10  C8y C    24.9598  -17.1475
            11  C8x C    24.9598  -15.7448
            12  C8x C    23.7442  -15.0434
            13  C1x C    22.5285  -19.9528
            14  C1x C    22.5285  -21.3555
            15  C1x C    23.7442  -22.0568
            16  C1x C    24.9598  -21.3555
            17  C1y C    24.9598  -19.9528
            18  C1x C    23.7442  -19.2514
            19  S4a S    21.3138  -15.0432
            20  O3c O    22.0142  -13.8276
            21  O3c O    20.6115  -16.2591
            22  N1a N    20.0972  -14.3421
            23  X   F    21.3339  -17.8378
BOND        25
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   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   10   4 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   17   5 1
            21    7  19 1
            22   19  20 2
            23   19  21 2
            24   19  22 1
            25    8  23 1

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