KEGG   DRUG: Piketoprofen hydrochloride
Entry
D08375                      Drug                                   

Name
Piketoprofen hydrochloride;
Triparsean (TN)
Formula
C22H20N2O2. HCl
Exact mass
380.1292
Mol weight
380.8673
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
Remark
ATC code: M02AA28
Chemical structure group: DG01250
Efficacy
Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA28 Piketoprofen
      D08375  Piketoprofen hydrochloride
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08375  Piketoprofen hydrochloride
    PTGS2 (COX2)
     D08375  Piketoprofen hydrochloride
Other DBs
PubChem: 96025061
LigandBox: D08375
LinkDB
KCF data

ATOM        27
            1   C8x C    16.8700  -17.2200
            2   C8x C    16.8700  -18.6200
            3   C8x C    18.0600  -19.3200
            4   C8x C    19.3200  -18.6200
            5   C8y C    19.3200  -17.2200
            6   C8x C    18.0600  -16.5200
            7   C5a C    20.5100  -16.5200
            8   C8y C    21.7000  -17.2200
            9   C8x C    21.7000  -18.6200
            10  C8x C    22.9600  -19.3200
            11  C8x C    24.1500  -18.6200
            12  C8y C    24.1500  -17.2200
            13  C8x C    22.9600  -16.5200
            14  C1c C    25.3400  -16.5200
            15  C5a C    26.5300  -17.2200
            16  N1b N    27.7900  -16.5200
            17  C8y C    28.9800  -17.2200
            18  C8x C    28.9800  -18.6200
            19  C8y C    30.1700  -19.3200
            20  C8x C    31.4300  -18.6200
            21  C8x C    31.4300  -17.2200
            22  N5x N    30.1700  -16.5200
            23  O5a O    20.5100  -15.1200
            24  C1a C    25.3400  -15.1200
            25  O5a O    26.5300  -18.6200
            26  C1a C    30.1700  -20.7200
            27  X   Cl   34.3000  -17.7800
BOND        28
            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 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25    7  23 2
            26   14  24 1
            27   15  25 2
            28   19  26 1

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