KEGG   DRUG: LoxoprofenHelp
Entry
D08149                      Drug                                   

Name
Loxoprofen (INN)
Formula
C15H18O3
Exact mass
246.1256
Mol weight
246.3016
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
Chemical structure group: DG01251
Product (DG01251): D01709<JP>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Drugs requiring guidance
  New approved switch OTC drugs
   Loxoprofen
    D08149  Loxoprofen (INN)
 First-class OTC drugs
  Inorganic and organic chemicals
   Loxoprofen
    D08149  Loxoprofen (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08149  Loxoprofen (INN)
    PTGS2 (COX2)
     D08149  Loxoprofen (INN)
BRITE hierarchy
Other DBs
CAS: 68767-14-6
PubChem: 96024839
ChEBI: 76172
ChEMBL: CHEMBL19299
LigandBox: D08149
NIKKAJI: J22.351D
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8y C    22.6800  -18.8300
            2   C8x C    23.8700  -19.5300
            3   C8x C    25.0600  -18.8300
            4   C8y C    25.0600  -17.4300
            5   C8x C    23.8700  -16.7300
            6   C8x C    22.6800  -17.4300
            7   C1c C    26.3200  -16.7300
            8   C6a C    27.5100  -17.4300
            9   C1a C    26.3200  -15.3300
            10  O6a O    28.7700  -16.7300
            11  O6a O    27.5100  -18.7600
            12  C1x C    20.2300  -17.4300
            13  C1y C    20.2300  -18.8300
            14  C1b C    21.4900  -19.5300
            15  C1x C    18.9000  -16.9400
            16  C1x C    18.0600  -18.1300
            17  C5x C    18.9000  -19.2500
            18  O5x O    18.4800  -20.5800
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   1 1
            7     4   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11    8  11 2
            12   12  13 1
            13   13  14 1
            14    1  14 1
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   13  17 1
            19   17  18 2

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