KEGG   DRUG: LumiracoxibHelp
Entry
D03714                      Drug                                   

Name
Lumiracoxib (USAN/INN)
Formula
C15H13ClFNO2
Exact mass
293.0619
Mol weight
293.7206
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01907  Antiinflammatory drug, coxibs
 DG01922  Selective COX2 inhibitor
  DG01907  Antiinflammatory drug, coxibs
Remark
ATC code: M01AH06
Efficacy
Anti-inflammatory, COX-2 inhibitor
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AH Coxibs
     M01AH06 Lumiracoxib
      D03714  Lumiracoxib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D03714  Lumiracoxib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 220991-20-8
PubChem: 17397805
ChEBI: 73044
ChEMBL: CHEMBL404108
DrugBank: DB01283
PDB-CCD: LUR[PDBj]
LigandBox: D03714
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    35.8735  -17.2402
            2   C8x C    35.8735  -18.6415
            3   C8y C    34.6824  -19.3422
            4   C8y C    33.4212  -18.6415
            5   C8x C    33.4212  -17.2402
            6   C8x C    34.6824  -16.5395
            7   N1b N    32.2300  -19.3422
            8   C8y C    31.0389  -18.6415
            9   C8y C    29.8477  -19.3422
            10  C8x C    28.5865  -18.6415
            11  C8x C    28.5865  -17.2402
            12  C8x C    29.7777  -16.5395
            13  C8y C    31.0389  -17.2402
            14  X   F    29.8477  -20.7436
            15  X   Cl   32.2300  -16.5395
            16  C1a C    37.0900  -16.5444
            17  C1b C    34.6824  -20.7422
            18  C6a C    35.8611  -21.4224
            19  O6a O    35.8611  -22.8224
            20  O6a O    37.0585  -20.7307
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     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    9  14 1
            16   13  15 1
            17    1  16 1
            18    3  17 1
            19   17  18 1
            20   18  19 1
            21   18  20 2

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