KEGG   DRUG: Flurbiprofen sodium
Entry
D02290                      Drug                                   

Name
Flurbiprofen sodium (USP);
Ocufen (TN)
Product
  Generic
Formula
C15H12FO2. 2H2O. Na
Exact mass
302.093
Mol weight
302.2733
Structure
Simcomp
Class
Anti-inflammatory
 DG01908  Anti-inflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: M01AE09 M02AA19 R02AX01 S01BC04
Chemical structure group: DG00755
Product (DG00755): D00330<JP/US> D01475<JP> D02290<US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Propionic acid derivative
Inhibition of intraoperative miosis
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07219  Cyclooxygenase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE09 Flurbiprofen
      D02290  Flurbiprofen sodium (USP) <US>
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA19 Flurbiprofen
      D02290  Flurbiprofen sodium (USP) <US>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX01 Flurbiprofen
      D02290  Flurbiprofen sodium (USP) <US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC04 Flurbiprofen
      D02290  Flurbiprofen sodium (USP) <US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Flurbiprofen
    D02290  Flurbiprofen sodium (USP)
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Nonsteroidal Anti-Inflammatory Drugs, Ophthalmic
    Flurbiprofen
     D02290  Flurbiprofen sodium (USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D02290  Flurbiprofen sodium (USP) <US>
    PTGS2 (COX2)
     D02290  Flurbiprofen sodium (USP) <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02290
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02290
Other DBs
CAS: 56767-76-1
PubChem: 7849349
ChEMBL: CHEMBL3989754
DrugBank: DB00712
LigandBox: D02290
NIKKAJI: J267.106I
LinkDB
KCF data

ATOM        21
            1   O0  O    38.2961  -15.7791
            2   C8x C    28.2100  -16.5900
            3   C8y C    28.2100  -15.1900
            4   C8x C    26.9500  -14.4900
            5   C8x C    25.7600  -15.1900
            6   C8x C    25.7600  -16.5900
            7   C8x C    26.9500  -17.2900
            8   C8y C    29.4000  -14.4900
            9   C8y C    30.5900  -15.1900
            10  C8x C    31.8500  -14.4900
            11  C8y C    31.8500  -13.0900
            12  C8x C    30.5900  -12.3900
            13  C8x C    29.4000  -13.0900
            14  X   F    30.5900  -16.5900
            15  C1c C    33.0400  -12.3900
            16  C6a C    34.2300  -13.0900
            17  C1a C    33.0400  -11.0600
            18  O6a O    34.2300  -14.4900
            19  O6a O    35.4900  -12.3900 #-
            20  Z   Na   37.2400  -12.4600 #+
            21  O0  O    38.2961  -15.7791
BOND        19
            1     5   6 2
            2     6   7 1
            3     8   9 2
            4     9  10 1
            5    10  11 2
            6    11  12 1
            7    12  13 2
            8    13   8 1
            9     7   2 2
            10    9  14 1
            11   11  15 1
            12    3   8 1
            13   15  16 1
            14    2   3 1
            15   15  17 1
            16    3   4 2
            17   16  18 2
            18    4   5 1
            19   16  19 1
BRACKET     1    36.4000  -16.7300   36.4000  -14.7000
            1    38.8500  -14.7000   38.8500  -16.7300
            1  2
 ORIGINAL  1    1
 REPEAT    1   21

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