KEGG   DRUG: OzagrelHelp
Entry
D08327                      Drug                                   

Name
Ozagrel (INN);
Cataclot (TN)
Formula
C13H12N2O2
Exact mass
228.0899
Mol weight
228.2466
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01516  Thromboxane A2 synthase inhibitor
Remark
Chemical structure group: DG01256
Product (DG01256): D01683<JP> D01684<JP>
Efficacy
Anticoagulant, Platelet aggregation inhibitor, Thromboxane A2 (TXA2) synthase inhibitor
Target
TBXAS1 (CYP5A1) [HSA:6916] [KO:K01832]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04611  Platelet activation
Interaction
Drug interaction
Structure map
map07034  Eicosanoids
map07049  Antithrombosis agents
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   Thromboxane-A synthase
    TBXAS1 (CYP5A1)
     D08327  Ozagrel (INN)
BRITE hierarchy
Other DBs
CAS: 82571-53-7
PubChem: 96025014
ChEMBL: CHEMBL11662
LigandBox: D08327
NIKKAJI: J34.702G
LinkDB All DBs
KCF data Show

ATOM        17
            1   N4y N    27.8600  -16.5200
            2   C8x C    28.2800  -17.8500
            3   C8x C    28.9800  -15.6800
            4   C1b C    26.6000  -15.8900
            5   N5x N    29.6800  -17.8500
            6   C8x C    30.1000  -16.5200
            7   C8y C    25.4100  -16.5900
            8   C8x C    25.4100  -17.9900
            9   C8x C    24.1500  -15.8900
            10  C8x C    24.2200  -18.6900
            11  C8x C    23.0300  -16.5900
            12  C8y C    23.0300  -17.9900
            13  C2b C    21.8400  -18.7600
            14  C2b C    20.6500  -18.0600
            15  C6a C    19.3900  -18.7600
            16  O6a O    18.2000  -18.0600
            17  O6a O    19.3900  -20.1600
BOND        18
            1     2   5 2
            2     3   6 2
            3     4   7 1
            4     7   8 2
            5     7   9 1
            6     8  10 1
            7     9  11 2
            8    10  12 2
            9    12  13 1
            10    5   6 1
            11   11  12 1
            12   13  14 2
            13   14  15 1
            14    1   2 1
            15   15  16 1
            16    1   3 1
            17   15  17 2
            18    1   4 1

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