KEGG   DRUG: FirocoxibHelp
Entry
D03712                      Drug                                   

Name
Firocoxib (USAN/INN);
Equioxx (TN) [veterinary]
Formula
C17H20O5S
Exact mass
336.1031
Mol weight
336.4027
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01907  Antiinflammatory drug, coxibs
 DG01922  Selective COX2 inhibitor
  DG01907  Antiinflammatory drug, coxibs
Remark
Same as: C18363
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX-2 inhibitor
Comment
Cosibs
Treatment of pain inflammation and fever
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D03712  Firocoxib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 189954-96-9
PubChem: 17397803
ChEBI: 76136
ChEMBL: CHEMBL69998
LigandBox: D03712
NIKKAJI: J1.153.112A
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    29.1200  -18.2000
            2   C8y C    26.6700  -16.8000
            3   C8x C    26.6700  -18.2000
            4   C8x C    27.8600  -18.9000
            5   C8x C    29.1200  -16.8000
            6   C8x C    27.8600  -16.1000
            7   S4a S    25.4800  -16.1000
            8   C1a C    24.2200  -15.4000
            9   O3c O    26.1800  -14.9100
            10  O3c O    24.7800  -17.2900
            11  C2y C    30.3100  -18.9000
            12  C2y C    30.3100  -20.3000
            13  C7x C    31.6400  -20.7200
            14  O7x O    32.4800  -19.6000
            15  C1z C    31.6400  -18.4800
            16  O2a O    29.1808  -21.1276
            17  C1b C    27.9118  -20.5689
            18  C1y C    26.7894  -21.3918
            19  C1a C    32.8524  -17.7800
            20  C1a C    30.9400  -17.2676
            21  O6a O    32.0680  -22.0530
            22  C1x C    25.4371  -21.7541
            23  C1x C    26.4270  -22.7441
BOND        25
            1     2   3 2
            2     3   4 1
            3     4   1 2
            4     1   5 1
            5     5   6 2
            6     2   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    7  10 2
            11    1  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   11  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   15  19 1
            21   15  20 1
            22   13  21 2
            23   18  22 1
            24   18  23 1
            25   22  23 1

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