KEGG   DRUG: Bromfenac
Entry
D07541                      Drug                                   
Name
Bromfenac (INN)
Formula
C15H12BrNO3
Exact mass
333.0001
Mol weight
334.1647
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01906  Anti-inflammatory drug, acetic acid derivatives
   DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
Remark
ATC code: S01BC11
Chemical structure group: DG01128
Product (DG01128): D03163<JP/US>
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Nonsteroidal anti-inflammatory drug (NSAID)
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
      D07541  Bromfenac (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
     DG01128  Bromfenac
      D07541  Bromfenac
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07541  Bromfenac (INN)
    PTGS2 (COX2)
     D07541  Bromfenac (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01906  Anti-inflammatory drug, acetic acid derivatives
    DG01898  Anti-inflammatory drug, phenylacetic acid derivatives
     DG01128  Bromfenac
Other DBs
CAS: 91714-94-2
PubChem: 51091863
ChEBI: 240107
PDB-CCD: 27R[PDBj]
LigandBox: D07541
NIKKAJI: J34.696I
KCF data

ATOM        20
            1   C8x C    13.2300  -20.3000
            2   C8y C    13.2300  -21.7000
            3   C8x C    14.4424  -22.4000
            4   C8x C    15.6549  -21.7000
            5   C8y C    15.6549  -20.3000
            6   C8x C    14.4424  -19.6000
            7   C5a C    16.8860  -19.5890
            8   C8y C    18.0912  -20.2847
            9   X   Br   12.0176  -22.4000
            10  O5a O    16.8857  -18.2001
            11  C8x C    18.0916  -21.6996
            12  C8x C    19.3042  -22.3993
            13  C8x C    20.5165  -21.6989
            14  C8y C    20.5160  -20.2839
            15  C8y C    19.3034  -19.5843
            16  C1b C    21.7168  -19.5903
            17  C6a C    22.9208  -20.2852
            18  O6a O    24.1036  -19.6021
            19  O6a O    22.9214  -21.6996
            20  N1a N    19.3032  -18.2001
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     2   9 1
            10    7  10 2
            11    8  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    8  15 1
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 2
            21   15  20 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (15)   

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