KEGG   DRUG: Ketoprofen sodium
Entry
D08103                      Drug                                   

Name
Ketoprofen sodium;
Orudis (TN)
Formula
C16H13O3. Na
Exact mass
276.0762
Mol weight
276.2624
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
Transporter inhibitor
 DG02883  SLC22A7 (OAT2) inhibitor
Remark
ATC code: M01AE03 M02AA10
Chemical structure group: DG00753
Product (DG00753): D00132<JP/US>
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
Transporter inhibition: SLC22A7 [HSA:10864]
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
     M01AE03 Ketoprofen
      D08103  Ketoprofen sodium
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA10 Ketoprofen
      D08103  Ketoprofen sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08103  Ketoprofen sodium
    PTGS2 (COX2)
     D08103  Ketoprofen sodium
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D08103
Other DBs
CAS: 57495-14-4
PubChem: 96024793
ChEMBL: CHEMBL341922
LigandBox: D08103
NIKKAJI: J149.250K
LinkDB
KCF data

ATOM        20
            1   C8x C    18.7600  -17.9200
            2   C8x C    18.7600  -19.3200
            3   C8x C    19.9500  -20.0200
            4   C8x C    21.2100  -19.3200
            5   C8y C    21.2100  -17.9200
            6   C8x C    19.9500  -17.2200
            7   C8x C    23.5900  -19.3200
            8   C8y C    23.5900  -17.9200
            9   C5a C    22.4000  -17.2200
            10  C8x C    24.8500  -20.0200
            11  C8x C    26.0400  -19.3200
            12  C8y C    26.0400  -17.9200
            13  C8x C    24.8500  -17.2200
            14  O5a O    22.4000  -15.8200
            15  C1c C    27.2300  -17.2200
            16  C6a C    28.4200  -17.9200
            17  C1a C    27.2300  -15.8200
            18  O6a O    29.6100  -17.2200 #-
            19  O6a O    28.4200  -19.3200
            20  Z   Na   32.6900  -17.9900 #+
BOND        20
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 2
            16   12  15 1
            17   15  16 1
            18   15  17 1
            19   16  18 1
            20   16  19 2

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