KEGG   DRUG: BromfenacHelp
Entry
D07541                      Drug                                   

Name
Bromfenac (INN)
Formula
C15H12BrNO3
Exact mass
333.0001
Mol weight
334.1647
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01906  Antiinflammatory drug, acetic acid derivatives
  DG01898  Antiinflammatory drug, phenylacetic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01906  Antiinflammatory drug, acetic acid derivatives
   DG01898  Antiinflammatory 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 antiinflammatory drugs (NSAIDs)
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug 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)
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Bromfenac
    D07541  Bromfenac (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07541  Bromfenac (INN)
    PTGS2 (COX2)
     D07541  Bromfenac (INN)
BRITE hierarchy
Other DBs
CAS: 91714-94-2
PubChem: 51091863
ChEBI: 240107
ChEMBL: CHEMBL1077
PDB-CCD: 27R[PDBj]
LigandBox: D07541
NIKKAJI: J34.696I
LinkDB All DBs
KCF data Show

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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