KEGG   DRUG: NaproxcinodHelp
Entry
D09568                      Drug                                   

Name
Naproxcinod (USAN/INN)
Formula
C18H21NO6
Exact mass
347.1369
Mol weight
347.3624
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
ATC code: M01AE18
Efficacy
Anti-inflammatory
Comment
Propionic acid derivative
Osteoarthritis
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
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE18 Naproxcinod
      D09568  Naproxcinod (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D09568  Naproxcinod (USAN/INN)
    PTGS2 (COX2)
     D09568  Naproxcinod (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 163133-43-5
PubChem: 124490308
ChEBI: 76254
ChEMBL: CHEMBL2103831
LigandBox: D09568
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    13.1600  -24.7100
            2   C8y C    13.1600  -26.1100
            3   C8x C    14.3724  -26.8100
            4   C8y C    15.5849  -26.1100
            5   C8y C    15.5849  -24.7100
            6   C8x C    14.3724  -24.0100
            7   C8x C    16.7973  -26.8100
            8   C8x C    18.0097  -26.1100
            9   C8y C    18.0097  -24.7100
            10  C8x C    16.7973  -24.0100
            11  C1c C    19.2073  -24.0185
            12  C7a C    20.3956  -24.7045
            13  O7a O    21.5864  -24.0169
            14  O6a O    20.3957  -26.1098
            15  C1b C    22.7760  -24.7037
            16  C1b C    23.9661  -24.0165
            17  C1b C    25.1562  -24.7035
            18  C1b C    26.3461  -24.0163
            19  O2a O    27.5362  -24.7035
            20  N2b N    28.7261  -24.0163
            21  O3a O    29.9162  -24.7034
            22  O3a O    28.7261  -22.6102
            23  C1a C    19.2073  -22.6185
            24  O2a O    11.9476  -26.8100
            25  C1a C    10.7521  -26.1196
BOND        26
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 2
            16   13  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   20  22 2
            24   11  23 1 #Down
            25    2  24 1
            26   24  25 1

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