KEGG   DRUG: Amfenac
Entry
D07443                      Drug                                   

Name
Amfenac (INN)
Formula
C15H13NO3
Exact mass
255.0895
Mol weight
255.2686
Structure
Simcomp
Class
Anti-inflammatory
 DG01906  Anti-inflammatory drug, acetic acid derivatives
  DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
Remark
Chemical structure group: DG01249
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Phenylacetic acid derivative
nonsteroidal antiinflammatory drugs (NSAIDs)
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
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07443  Amfenac (INN)
    PTGS2 (COX2)
     D07443  Amfenac (INN)
Other DBs
CAS: 51579-82-9
PubChem: 51091774
ChEBI: 75915
ChEMBL: CHEMBL25146
LigandBox: D07443
NIKKAJI: J11.225I
LinkDB
KCF data

ATOM        19
            1   C8x C    18.6900  -17.9200
            2   C8x C    18.6900  -19.3200
            3   C8x C    19.9500  -20.0200
            4   C8x C    21.1400  -19.3200
            5   C8y C    21.1400  -17.9200
            6   C8x C    19.9500  -17.2200
            7   C5a C    22.3300  -17.2200
            8   C8y C    23.5200  -17.9200
            9   O5a O    22.3300  -15.8200
            10  C8x C    23.5200  -19.3200
            11  C8x C    24.7800  -20.0200
            12  C8x C    25.9700  -19.3200
            13  C8y C    25.9700  -17.9200
            14  C8y C    24.7800  -17.2200
            15  N1a N    24.7800  -15.8200
            16  C1b C    27.1600  -17.2200
            17  C6a C    28.4200  -17.9200
            18  O6a O    29.6100  -17.2200
            19  O6a O    28.4200  -19.3200
BOND        20
            1     2   3 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   1 1
            6     8  10 2
            7    10  11 1
            8    11  12 2
            9    12  13 1
            10   13  14 2
            11   14   8 1
            12   14  15 1
            13    5   7 1
            14   13  16 1
            15   16  17 1
            16    7   8 1
            17   17  18 1
            18    1   2 2
            19   17  19 2
            20    7   9 2

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