KEGG   DRUG: IbuproxamHelp
Entry
D07268                      Drug                                   

Name
Ibuproxam (INN);
Ibudros (TN)
Formula
C13H19NO2
Exact mass
221.1416
Mol weight
221.2955
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
ATC code: M01AE13
Efficacy
Analgesic, Anti-inflammatory, COX inhibitor
Comment
Propionic acid derivative
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]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE13 Ibuproxam
      D07268  Ibuproxam (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07268  Ibuproxam (INN)
    PTGS2 (COX2)
     D07268  Ibuproxam (INN)
BRITE hierarchy
Other DBs
CAS: 53648-05-8
PubChem: 51091606
ChEBI: 76160
ChEMBL: CHEMBL292707
LigandBox: D07268
NIKKAJI: J10.884G
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8x C    16.8700  -18.2700
            2   C8y C    16.8700  -19.6700
            3   C8x C    18.0824  -20.3700
            4   C8x C    19.2949  -19.6700
            5   C8y C    19.2949  -18.2700
            6   C8x C    18.0824  -17.5700
            7   C1c C    20.5324  -17.5700
            8   C5a C    21.7449  -18.2700
            9   N1b N    22.9573  -17.5700
            10  O1b O    24.1697  -18.2700
            11  C1b C    15.6576  -20.3700
            12  C1c C    14.4621  -19.6796
            13  C1a C    13.2747  -20.3651
            14  C1a C    20.5386  -16.1703
            15  C1a C    14.4620  -18.2703
            16  O5a O    21.7449  -19.6698
BOND        16
            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     8   9 1
            10    9  10 1
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14    7  14 1
            15   12  15 1
            16    8  16 2

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