KEGG   DRUG: Ozagrel hydrochloride hydrate
Entry
D01683                      Drug                                   

Name
Ozagrel hydrochloride hydrate (JAN);
Ozagrel hydrochloride;
Ozagrel (TN)
Formula
C13H12N2O2. HCl. H2O
Exact mass
282.0771
Mol weight
282.7228
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
  DG01516  Thromboxane A2 synthase inhibitor
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
   DG01516  Thromboxane A2 synthase inhibitor
 DG01516  Thromboxane A2 synthase inhibitor
Remark
Therapeutic category: 4490
Chemical structure group: DG01256
Product (DG01256): D01683<JP> D01684<JP>
Efficacy
Antiasthmatic, Airway hyperreactivity inhibitor, Thromboxane A2 (TXA2) synthase inhibitor
Target
TBXAS1 (CYP5A1) [HSA:6916] [KO:K01832]
  Pathway
hsa00590  Arachidonic acid metabolism
hsa04611  Platelet activation
Interaction
Structure map
map07034  Eicosanoids
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D01683  Ozagrel hydrochloride hydrate (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   Thromboxane-A synthase
    TBXAS1 (CYP5A1)
     D01683  Ozagrel hydrochloride hydrate (JAN) <JP>
Other DBs
PubChem: 7848746
ChEMBL: CHEMBL1715705
LigandBox: D01683
KCF data

ATOM        19
            1   N4y N    24.8993  -15.9855
            2   C8x C    25.3377  -17.3182
            3   C8x C    26.0391  -15.1496
            4   C1b C    23.6718  -15.2958
            5   N5x N    26.7405  -17.3182
            6   C8x C    27.1789  -15.9855
            7   C8y C    22.4677  -16.0206
            8   C8x C    22.4911  -17.4291
            9   C8x C    21.2343  -15.3366
            10  C8x C    21.2811  -18.1482
            11  C8x C    20.0771  -16.0614
            12  C8y C    20.1122  -17.4643
            13  C2b C    18.9022  -18.1831
            14  C2b C    17.6826  -17.4992
            15  C6a C    16.4802  -18.2135
            16  O6a O    15.2604  -17.5294
            17  O6a O    16.4278  -19.6118
            18  X   Cl   29.7155  -16.9975
            19  O0  O    33.1850  -16.9854
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

» Japanese version   » Back

KEGG   DRUG: Ozagrel sodium
Entry
D01684                      Drug                                   

Name
Ozagrel sodium (JP17);
Ozapen (TN)
Formula
C13H11N2O2. Na
Exact mass
250.0718
Mol weight
250.2284
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
  DG01516  Thromboxane A2 synthase inhibitor
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
   DG01516  Thromboxane A2 synthase inhibitor
 DG01516  Thromboxane A2 synthase inhibitor
Remark
Therapeutic category: 2190 3999
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
Structure map
map07034  Eicosanoids
map07049  Antithrombosis agents
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D01684  Ozagrel sodium (JP17)
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D01684  Ozagrel sodium (JP17)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   Thromboxane-A synthase
    TBXAS1 (CYP5A1)
     D01684  Ozagrel sodium (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01684  Ozagrel sodium
  D01684  Ozagrel sodium injection
  D01684  Ozagrel sodium for injection
Other DBs
CAS: 189224-26-8
PubChem: 7848747
LigandBox: D01684
NIKKAJI: J195.867D
KCF data

ATOM        18
            1   N4y N    27.0331  -14.7865
            2   C8x C    27.4703  -16.1159
            3   C8x C    28.1700  -13.9527
            4   C1b C    25.8087  -14.0985
            5   N5x N    28.8697  -16.1159
            6   C8x C    29.3070  -14.7865
            7   C8y C    24.6075  -14.8216
            8   C8x C    24.6308  -16.2266
            9   C8x C    23.3772  -14.1393
            10  C8x C    23.4238  -16.9439
            11  C8x C    22.2229  -14.8155
            12  C8y C    22.2112  -16.2617
            13  C2b C    21.0042  -16.9788
            14  C2b C    19.7876  -16.2963
            15  C6a C    18.5882  -17.0089
            16  O6a O    17.3715  -16.3266 #-
            17  O6a O    18.6057  -18.4039
            18  Z   Na   14.9549  -16.2803 #+
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

» Japanese version   » Back

KEGG   DRUG: Ozagrel
Entry
D08327                      Drug                                   

Name
Ozagrel (INN);
Cataclot (TN)
Formula
C13H12N2O2
Exact mass
228.0899
Mol weight
228.2466
Structure
Simcomp
Class
Cardiovascular agent
 DG01712  Antiplatelet agent
  DG01516  Thromboxane A2 synthase inhibitor
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
   DG01516  Thromboxane A2 synthase inhibitor
 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
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)
Other DBs
CAS: 82571-53-7
PubChem: 96025014
ChEMBL: CHEMBL11662
LigandBox: D08327
NIKKAJI: J34.702G
KCF data

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

» Japanese version   » Back

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