KEGG   DRUG: Esflurbiprofen
Entry
D10254                      Drug                                   

Name
Esflurbiprofen (JAN)
Formula
C15H13FO2
Exact mass
244.09
Mol weight
244.2609
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>
Product (mixture): D10746<JP>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
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
      D10254  Esflurbiprofen (JAN)
  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
      D10254  Esflurbiprofen (JAN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX01 Flurbiprofen
      D10254  Esflurbiprofen (JAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC04 Flurbiprofen
      D10254  Esflurbiprofen (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D10254  Esflurbiprofen (JAN)
    PTGS2 (COX2)
     D10254  Esflurbiprofen (JAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10254
Other DBs
CAS: 51543-39-6
PubChem: 163312285
ChEMBL: CHEMBL435298
PDB-CCD: FLP[PDBj]
LinkDB
KCF data

ATOM        18
            1   C8x C     9.1000  -18.1300
            2   C8x C     9.1000  -19.5300
            3   C8x C    10.3124  -20.2300
            4   C8x C    11.5249  -19.5300
            5   C8y C    11.5249  -18.1300
            6   C8x C    10.3124  -17.4300
            7   C8y C    12.7560  -17.4190
            8   C8y C    13.9612  -18.1147
            9   C8x C    15.1735  -17.4146
            10  C8y C    15.1735  -16.0146
            11  C8x C    13.9683  -15.3189
            12  C8x C    12.7559  -16.0190
            13  X   F    13.9616  -19.5296
            14  C1c C    16.3914  -15.3112
            15  C6a C    17.6034  -16.0107
            16  C1a C    16.3911  -13.9300
            17  O6a O    18.7823  -15.3298
            18  O6a O    17.6040  -17.4296
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14    8  13 1
            15   10  14 1
            16   14  15 1
            17   14  16 1 #Down
            18   15  17 1
            19   15  18 2

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