KEGG   DRUG: Mofezolac
Entry
D01718                      Drug                                   
Name
Mofezolac (JAN/INN);
Mofezolac (TN)
Formula
C19H17NO5
Exact mass
339.1107
Mol weight
339.342
Structure
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07112  1,2-Diphenyl substitution family
map07219  Cyclooxygenase inhibitors
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    D01718  Mofezolac
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   D01718  Mofezolac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01718  Mofezolac (JAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01718
Other DBs
CAS: 78967-07-4
PubChem: 7848781
ChEBI: 31860
PDB-CCD: 63X[PDBj]
LigandBox: D01718
NIKKAJI: J343.412E
KCF data

ATOM        25
            1   O2x O    28.2631  -17.3226
            2   C8y C    27.4217  -16.2008
            3   C8y C    26.1129  -16.6215
            4   C8y C    26.1129  -18.0238
            5   N5x N    27.4217  -18.4445
            6   C8y C    22.4668  -14.5180
            7   C8x C    22.4668  -15.9203
            8   C8x C    23.6821  -16.6215
            9   C8y C    24.8975  -15.9203
            10  C8x C    24.8975  -14.5180
            11  C8x C    23.6821  -13.8168
            12  O2a O    21.2514  -13.8168
            13  C1a C    20.0361  -14.5180
            14  C8x C    22.4668  -18.7250
            15  C8y C    22.4668  -20.1273
            16  C8x C    23.6821  -20.8285
            17  C8x C    24.8975  -20.1273
            18  C8y C    24.8975  -18.7250
            19  C8x C    23.6821  -18.0238
            20  O2a O    21.2514  -20.8285
            21  C1a C    20.0361  -20.1273
            22  C1b C    27.8470  -14.8644
            23  C6a C    29.2164  -14.5647
            24  O6a O    30.1525  -15.5920
            25  O6a O    29.6400  -13.2338
BOND        27
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     6   7 2
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11    6  11 1
            12    9   3 1
            13    6  12 1
            14   12  13 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   18   4 1
            22   15  20 1
            23   20  21 1
            24    2  22 1
            25   22  23 1
            26   23  24 2
            27   23  25 1

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