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<compound>
  <id type="integer">3063</id>
  <title>T3D3021</title>
  <common-name>Ridogrel</common-name>
  <description>Ridogrel is an exogenous organic compound with the formula C18H17F3N2O3 and an average molecular weight of 366.33 g/mol. It exists as a solid at room temperature. Ridogrel belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds.

This compound targets thromboxane-A synthase (TBXAS1) and the thromboxane A2 receptor (TBXA2R). Ridogrel inhibits thromboxane A2 synthase and blocks the thromboxane A2/prostaglandin endoperoxide receptors. Thromboxane synthetase produces thromboxane in platelets, which acts as a vasoconstrictor and facilitates platelet clumping. By inhibiting the production and promotion of thromboxane, thrombolysis is reduced. Ridogrel is used for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction, although there are currently no clinical indications for its preferential use over aspirin.</description>
  <cas>110140-89-1</cas>
  <pubchem-id>5362391</pubchem-id>
  <chemical-formula>C18H17F3N2O3</chemical-formula>
  <weight>366.119130</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>8.39e-03 g/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Rapidly absorbed after oral administration (30-60 min)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Ridogrel inhibits thromboxane A2 synthase and also blocks the thromboxane A2/prostaglandin endoperoxide receptors.Thromboxane synthetase produces thromboxane in platelets. Thromboxane is a vasoconstrictor and facilitates the clumping of platelets. Therefore by inhibiting the production and promotion of thromboxane, thrombolysis is enhanced.</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms></symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-21T20:28:39Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:58:45Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>127439</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Ridogrel</stitch-id>
  <drugbank-id>DB01207</drugbank-id>
  <pdb-id></pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F</moldb-smiles>
  <moldb-formula>C18H17F3N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+</moldb-inchi>
  <moldb-inchikey>GLLPUTYLZIKEGF-HAVVHWLPSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">366.3344</moldb-average-mass>
  <moldb-mono-mass type="decimal">366.119127035</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4.3</logp>
  <hmdb-id>HMDB15338</hmdb-id>
  <chembl-id>CHEMBL280728</chembl-id>
  <chemspider-id>4515025</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002378</chemdb-id>
  <dsstox-id>DTXSID90872935</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068597</susdat-id>
  <iupac>5-{[(E)-[(pyridin-3-yl)[3-(trifluoromethyl)phenyl]methylidene]amino]oxy}pentanoic acid</iupac>
  <moldb-polar-surface-area>71.78</moldb-polar-surface-area>
  <moldb-refractivity>88.8943</moldb-refractivity>
  <moldb-polarizability>34.94102375669082</moldb-polarizability>
  <moldb-rotatable-bond-count>9</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.501608187006648</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>4.25638291462859</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>3.24</moldb-alogps-logp>
  <moldb-alogps-logs>-4.64</moldb-alogps-logs>
  <moldb-alogps-solubility>8.39e-03 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Trifluoromethylbenzenes</subklass>
  <paper-count type="integer">121</paper-count>
  <sync-id>CED0020300</sync-id>
  <structure-inchikey>GLLPUTYLZIKEGF-HAVVHWLPSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:42Z</structure-indexed-at>
</compound>
