KEGG   DRUG: IndobufenHelp
Entry
D07141                      Drug                                   

Name
Indobufen (INN)
Formula
C18H17NO3
Exact mass
295.1208
Mol weight
295.3325
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Anti-inflammatory
 DG01908  Antiinflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
  DG01908  Antiinflammatory drug, propionic acid derivatives
Remark
ATC code: B01AC10
Efficacy
Anticoagulant, Anti-inflammatory, Platelet aggregation inhibitor, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04611  Platelet activation
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC10 Indobufen
      D07141  Indobufen (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D07141  Indobufen (INN)
    PTGS2 (COX2)
     D07141  Indobufen (INN)
BRITE hierarchy
Other DBs
CAS: 63610-08-2
PubChem: 51091480
ChEMBL: CHEMBL1765292
LigandBox: D07141
NIKKAJI: J290.109I
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    11.9000  -16.0300
            2   C8x C    11.9000  -17.4300
            3   C8x C    13.1124  -18.1300
            4   C8y C    14.3249  -17.4300
            5   C8y C    14.3249  -16.0300
            6   C8x C    13.1124  -15.3300
            7   C5x C    15.6564  -17.8626
            8   N1y N    16.4793  -16.7300
            9   C1x C    15.6564  -15.5974
            10  C8y C    17.8500  -16.7300
            11  C8x C    18.5500  -17.9424
            12  C8x C    19.9500  -17.9424
            13  C8y C    20.6500  -16.7300
            14  C8x C    19.9500  -15.5176
            15  C8x C    18.5500  -15.5176
            16  C1c C    22.0500  -16.7300
            17  C1b C    22.7500  -17.9424
            18  C6a C    22.7500  -15.5176
            19  C1a C    24.1498  -17.9424
            20  O6a O    24.1498  -15.5176
            21  O5x O    16.0876  -19.1894
            22  O6a O    22.0596  -14.3221
BOND        24
            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 1
            10    5   9 1
            11    8  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20   16  18 1
            21   17  19 1
            22   18  20 1
            23    7  21 2
            24   18  22 2

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