KEGG   DRUG: PiketoprofenHelp
Entry
D08374                      Drug                                   

Name
Piketoprofen (INN);
Calmatel (TN)
Formula
C22H20N2O2
Exact mass
344.1525
Mol weight
344.4064
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
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
Drug 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
      D08374  Piketoprofen (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08374  Piketoprofen (INN)
    PTGS2 (COX2)
     D08374  Piketoprofen (INN)
BRITE hierarchy
Other DBs
CAS: 60576-13-8
PubChem: 96025060
ChEMBL: CHEMBL2106966
LigandBox: D08374
NIKKAJI: J18.444F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    14.5600  -17.3600
            2   C8x C    14.5600  -18.7600
            3   C8x C    15.7724  -19.4600
            4   C8x C    16.9849  -18.7600
            5   C8y C    16.9849  -17.3600
            6   C8x C    15.7724  -16.6600
            7   C5a C    18.2160  -16.6490
            8   C8y C    19.4211  -17.3447
            9   C8x C    19.4216  -18.7596
            10  C8x C    20.6342  -19.4593
            11  C8x C    21.8464  -18.7589
            12  C8y C    21.8460  -17.3440
            13  C8x C    20.6334  -16.6443
            14  C1c C    23.0524  -16.6600
            15  C5a C    24.2649  -17.3600
            16  N1b N    25.4773  -16.6600
            17  C8y C    26.6897  -17.3600
            18  C8x C    26.6897  -18.7599
            19  C8y C    27.9022  -19.4599
            20  C8x C    29.1146  -18.7599
            21  C8x C    29.1146  -17.3600
            22  N5x N    27.9022  -16.6600
            23  O5a O    18.2158  -15.2601
            24  C1a C    23.0578  -15.2603
            25  O5a O    24.2649  -18.7598
            26  C1a C    27.9022  -20.8597
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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