KEGG   DRUG: Amfenac sodium
Entry
D01788                      Drug                                   

Name
Amfenac sodium (USAN);
Amfenac sodium hydrate (JAN);
Fenazox (TN)
Formula
C15H12NO3. Na. H2O
Exact mass
295.0821
Mol weight
295.2657
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
Comment
Phenylacetic 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
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D01788  Amfenac sodium (USAN)
    PTGS2 (COX2)
     D01788  Amfenac sodium (USAN)
Other DBs
CAS: 61618-27-7
PubChem: 7848850
ChEBI: 31202
LigandBox: D01788
NIKKAJI: J245.001A
LinkDB
KCF data

ATOM        21
            1   C8x C     7.2890  -13.4603
            2   C8x C     7.2890  -14.8615
            3   C8x C     8.5054  -15.5622
            4   C8x C     9.7147  -14.8615
            5   C8y C     9.7147  -13.4603
            6   C8x C     8.5054  -12.7597
            7   C5a C    10.9286  -12.7607
            8   C8y C    12.1416  -13.4622
            9   O5a O    10.9298  -11.3595
            10  C8x C    12.1350  -14.8614
            11  C8x C    13.3481  -15.5630
            12  C8x C    14.5621  -14.8632
            13  C8y C    14.5632  -13.4620
            14  C8y C    13.3501  -12.7605
            15  N1a N    13.3489  -11.3593
            16  C1b C    15.7670  -12.7597
            17  C6a C    16.9772  -13.4533
            18  O6a O    18.1874  -12.7527 #-
            19  O6a O    16.9802  -14.8546
            20  Z   Na   21.0890  -12.7527 #+
            21  O0  O    26.0168  -13.3234
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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