KEGG   DRUG: Naproxen etemesil
Entry
D10017                      Drug                                   

Name
Naproxen etemesil (USAN)
Formula
C17H20O5S
Exact mass
336.1031
Mol weight
336.4027
Structure
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: G02CC02 M01AE02 M02AA12
Chemical structure group: DG00455
Product (DG00455): D00118<JP/US> D00970<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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC02 Naproxen
      D10017  Naproxen etemesil (USAN)
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE02 Naproxen
      D10017  Naproxen etemesil (USAN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA12 Naproxen
      D10017  Naproxen etemesil (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D10017  Naproxen etemesil (USAN)
    PTGS2 (COX2)
     D10017  Naproxen etemesil (USAN)
Other DBs
CAS: 385800-16-8
PubChem: 135626738
ChEMBL: CHEMBL2105683
LigandBox: D10017
LinkDB
KCF data

ATOM        23
            1   C8x C     9.1700  -19.2500
            2   C8y C     9.1700  -20.6500
            3   C8x C    10.3824  -21.3500
            4   C8y C    11.5949  -20.6500
            5   C8y C    11.5949  -19.2500
            6   C8x C    10.3824  -18.5500
            7   C8x C    12.8073  -21.3500
            8   C8x C    14.0197  -20.6500
            9   C8y C    14.0197  -19.2500
            10  C8x C    12.8073  -18.5500
            11  O2a O     7.9576  -21.3500
            12  C1a C     6.7621  -20.6596
            13  C1c C    15.2173  -18.5585
            14  C7a C    16.4056  -19.2445
            15  C1a C    15.2174  -17.1503
            16  O7a O    17.5964  -18.5569
            17  O6a O    16.4057  -20.6498
            18  C1b C    18.7860  -19.2437
            19  C1b C    19.9761  -18.5565
            20  S4a S    21.1662  -19.2435
            21  C1a C    22.3561  -18.5563
            22  O3c O    20.4662  -20.4559
            23  O3c O    21.8662  -20.4559
BOND        24
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13   11  12 1
            14    9  13 1
            15   13  14 1
            16   13  15 1 #Down
            17   14  16 1
            18   14  17 2
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   20  23 2

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