KEGG   DRUG: Deracoxib
Entry
D03689                      Drug                                   

Name
Deracoxib (USAN)
Formula
C17H14F3N3O3S
Exact mass
397.0708
Mol weight
397.3716
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
Veterinary (For oral use in dogs only)
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)
     D03689  Deracoxib (USAN)
Other DBs
CAS: 169590-41-4
PubChem: 17397783
ChEBI: 73032
ChEMBL: CHEMBL28636
LigandBox: D03689
LinkDB
KCF data

ATOM        27
            1   N4y N    25.6200  -17.5000
            2   C8y C    25.6200  -18.9000
            3   C8x C    26.9500  -19.3200
            4   C8y C    27.7900  -18.2000
            5   N5x N    26.9500  -17.0800
            6   C1c C    29.1900  -18.2000
            7   X   F    29.8900  -19.3900
            8   X   F    29.8900  -17.0100
            9   C8y C    24.5000  -19.7400
            10  C8y C    24.5000  -16.6600
            11  C8y C    22.0500  -15.2600
            12  C8x C    22.0500  -16.6600
            13  C8x C    23.2400  -17.3600
            14  C8x C    24.5000  -15.2600
            15  C8x C    23.2400  -14.5600
            16  C8x C    22.0500  -19.7400
            17  C8y C    22.0500  -21.1400
            18  C8y C    23.2400  -21.8400
            19  C8x C    24.5000  -21.1400
            20  C8x C    23.2400  -19.0400
            21  S4a S    20.8347  -14.5649
            22  N1a N    19.6223  -13.8649
            23  O3c O    21.5347  -13.3525
            24  O3c O    20.1347  -15.7774
            25  X   F    23.2228  -23.2399
            26  O2a O    20.8347  -21.8351
            27  C1a C    19.6463  -21.1423
BOND        29
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     4   6 1
            7     6   7 1
            8     6   8 1
            9     2   9 1
            10    1  10 1
            11   11  12 2
            12   12  13 1
            13   13  10 2
            14   10  14 1
            15   14  15 2
            16   11  15 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   19   9 1
            21    9  20 2
            22   16  20 1
            23   11  21 1
            24   21  22 1
            25   21  23 2
            26   21  24 2
            27   18  25 1
            28   17  26 1
            29   26  27 1

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