KEGG   DRUG: Fenoprofen calcium
Entry
D00968                      Drug                                   

Name
Fenoprofen calcium (JAN/USP);
Nalfon (TN)
Product
  Generic
Formula
(C15H13O3)2. Ca. 2H2O
Exact mass
558.1567
Mol weight
558.6324
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: M01AE04
Chemical structure group: DG00754
Product (DG00754): D00968<US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
  Disease
Rheumatoid arthritis [DS:H00630]
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
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
     M01AE04 Fenoprofen
      D00968  Fenoprofen calcium (JAN/USP) <US>
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Fenoprofen
    D00968  Fenoprofen calcium (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D00968  Fenoprofen calcium (JAN/USP) <US>
    PTGS2 (COX2)
     D00968  Fenoprofen calcium (JAN/USP) <US>
Other DBs
CAS: 53746-45-5
PubChem: 7848031
ChEBI: 5005
ChEMBL: CHEMBL2103736
DrugBank: DB00573
LigandBox: D00968
NIKKAJI: J2.207.098C
LinkDB
KCF data

ATOM        39
            1   Z   Ca   36.1429  -23.6003 #2+
            2   O0  O    37.1238  -25.7019
            3   C8x C    21.9763  -24.2873
            4   C8x C    21.9763  -25.6871
            5   C8x C    23.1885  -26.3870
            6   C8x C    24.4008  -25.6871
            7   C8y C    24.4008  -24.2873
            8   C8x C    23.1885  -23.5874
            9   O2a O    25.6381  -23.5874
            10  C8y C    26.8504  -24.2873
            11  C8x C    28.0626  -23.5874
            12  C8x C    26.8504  -25.6871
            13  C8x C    28.0626  -26.3870
            14  C8x C    29.2748  -25.6871
            15  C8y C    29.2748  -24.2873
            16  C1c C    30.4673  -23.5874
            17  C6a C    31.6795  -24.2873
            18  O6a O    32.8917  -23.5874 #-
            19  C1a C    30.4623  -22.1878
            20  O6a O    31.6795  -25.6869
            21  O0  O    37.1697  -27.4398
            22  C8x C    21.9763  -24.2873
            23  C8x C    21.9763  -25.6871
            24  C8x C    23.1885  -26.3870
            25  C8x C    24.4008  -25.6871
            26  C8y C    24.4008  -24.2873
            27  C8x C    23.1885  -23.5874
            28  O2a O    25.6381  -23.5874
            29  C8y C    26.8504  -24.2873
            30  C8x C    28.0626  -23.5874
            31  C8y C    29.2748  -24.2873
            32  C8x C    29.2748  -25.6871
            33  C8x C    28.0626  -26.3870
            34  C8x C    26.8504  -25.6871
            35  C1c C    30.4673  -23.5874
            36  C6a C    31.6795  -24.2873
            37  O6a O    32.8917  -23.5874 #-
            38  O6a O    31.6795  -25.6869
            39  C1a C    30.4623  -22.1878
BOND        38
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     7   9 1
            8     9  10 1
            9    10  11 1
            10   10  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   11  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   16  19 1
            19   17  20 2
            20   22  23 2
            21   23  24 1
            22   24  25 2
            23   25  26 1
            24   26  27 2
            25   22  27 1
            26   26  28 1
            27   28  29 1
            28   29  30 1
            29   29  34 2
            30   34  33 1
            31   33  32 2
            32   32  31 1
            33   30  31 2
            34   31  35 1
            35   35  36 1
            36   36  37 1
            37   35  39 1
            38   36  38 2
BRACKET     1    21.0000  -28.0700   21.0000  -20.7200
            1    33.8800  -20.7200   33.8800  -28.0700
            1  2
 ORIGINAL  1    3   4   5   6   7   8   9  10  11  15  14  13  12  16  17  18
            1   20  19
 REPEAT    1   22  23  24  25  26  27  28  29  30  31  32  33  34  35  36  37
            1   38  39

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