KEGG   DRUG: Indobufen
Entry
D07141                      Drug                                   

Name
Indobufen (INN)
Formula
C18H17NO3
Exact mass
295.1208
Mol weight
295.3325
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Anti-inflammatory
 DG01908  Anti-inflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory 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
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)
Other DBs
CAS: 63610-08-2
PubChem: 51091480
ChEMBL: CHEMBL1765292
LigandBox: D07141
NIKKAJI: J290.109I
KCF data

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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