KEGG   DRUG: Bromfenac sodium
Entry
D03163                      Drug                                   

Name
Bromfenac sodium (USAN);
Bromfenac sodium hydrate (JP17);
Bromfenac sodium sesquihydrate;
Bromday (TN);
Prolensa (TN);
Xibrom (TN);
Yellox (TN)
Product
  Generic
Formula
(C15H11BrNO3)2. 2Na. 3H2O
Exact mass
763.9957
Mol weight
766.3389
Structure
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
Therapeutic category: 1319
ATC code: S01BC11
Chemical structure group: DG01128
Product (DG01128): D03163<JP/US>
Efficacy
Analgesic, Anti-inflammatory (ophthalmic), COX inhibitor
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]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BC Antiinflammatory agents, non-steroids
     S01BC11 Bromfenac
      D03163  Bromfenac sodium (USAN) <JP/US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Nonsteroidal Anti-Inflammatory Drugs, Ophthalmic
    Bromfenac
     D03163  Bromfenac sodium (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D03163  Bromfenac sodium (USAN); Bromfenac sodium hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D03163  Bromfenac sodium (USAN) <JP/US>
    PTGS2 (COX2)
     D03163  Bromfenac sodium (USAN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03163  Bromfenac sodium hydrate
  D03163  Bromfenac sodium ophthalmic solution
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D03163
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D03163
Other DBs
CAS: 120638-55-3
PubChem: 17397317
ChEBI: 59176
ChEMBL: CHEMBL3181947
DrugBank: DB00963
LigandBox: D03163
NIKKAJI: J2.213.703D
LinkDB
KCF data

ATOM        45
            1   O0  O    27.9740  -15.4853
            2   C8y C    15.7500  -14.3500
            3   C8x C    15.7500  -15.7500
            4   C8x C    16.9624  -16.4500
            5   C8x C    18.1749  -15.7500
            6   C8y C    18.1749  -14.3500
            7   C8y C    16.9624  -13.6500
            8   N1a N    16.9624  -12.2502
            9   C1b C    19.4060  -13.6390
            10  C6a C    20.6112  -14.3347
            11  O6a O    21.7935  -13.6519 #-
            12  O6a O    20.6116  -15.7496
            13  C5a C    14.5376  -13.6500
            14  C8y C    13.3421  -14.3404
            15  O5a O    14.5375  -12.2502
            16  C8x C    12.1547  -13.6549
            17  C8x C    10.9423  -14.3550
            18  C8y C    10.9424  -15.7550
            19  C8x C    12.1297  -16.4404
            20  C8x C    13.3421  -15.7404
            21  X   Br    9.7155  -16.4636
            22  Z   Na   26.8800  -11.9700 #+
            23  O0  O    27.9740  -15.4853
            24  O0  O    27.9740  -15.4853
            25  C8y C    15.7500  -14.3500
            26  C8x C    15.7500  -15.7500
            27  C8x C    16.9624  -16.4500
            28  C8x C    18.1749  -15.7500
            29  C8y C    18.1749  -14.3500
            30  C8y C    16.9624  -13.6500
            31  N1a N    16.9624  -12.2502
            32  C1b C    19.4060  -13.6390
            33  C6a C    20.6112  -14.3347
            34  O6a O    21.7935  -13.6519 #-
            35  O6a O    20.6116  -15.7496
            36  C5a C    14.5376  -13.6500
            37  C8y C    13.3421  -14.3404
            38  C8x C    12.1547  -13.6549
            39  C8x C    10.9423  -14.3550
            40  C8y C    10.9424  -15.7550
            41  C8x C    12.1297  -16.4404
            42  C8x C    13.3421  -15.7404
            43  X   Br    9.7155  -16.4636
            44  O5a O    14.5375  -12.2502
            45  Z   Na   26.8800  -11.9700 #+
BOND        42
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     7   8 1
            8     6   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12    2  13 1
            13   13  14 1
            14   13  15 2
            15   14  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 2
            20   14  20 1
            21   18  21 1
            22   25  26 2
            23   26  27 1
            24   27  28 2
            25   28  29 1
            26   29  30 2
            27   25  30 1
            28   30  31 1
            29   29  32 1
            30   32  33 1
            31   33  34 1
            32   33  35 2
            33   25  36 1
            34   36  37 1
            35   36  44 2
            36   37  38 2
            37   38  39 1
            38   39  40 2
            39   40  41 1
            40   41  42 2
            41   37  42 1
            42   40  43 1
BRACKET     1    26.1100  -16.5200   26.1100  -14.4900
            1    28.4900  -14.4900   28.4900  -16.5200
            1  3
 ORIGINAL  1    1
 REPEAT    1   23  24
            2     9.3800  -17.6400    9.3800  -10.7100
            2    22.4700  -10.7100   22.4700  -17.6400
            2  2
 ORIGINAL  2    2   3   4   5   6   7   8   9  10  11  12  13  14  16  17  18
            2   19  20  21  15
 REPEAT    2   25  26  27  28  29  30  31  32  33  34  35  36  37  38  39  40
            2   41  42  43  44
            3    25.8300  -12.8800   25.8300  -10.9200
            3    28.4900  -10.9200   28.4900  -12.8800
            3  2
 ORIGINAL  3   22
 REPEAT    3   45

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