<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3063</id>
  <title>T3D3021</title>
  <common-name>Ridogrel</common-name>
  <description>Ridogrel is only found in individuals that have used or taken this drug. It is a dual action drug useful for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction. However, there currently are no clinical indications for preferential use of ridogrel over aspirin.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.</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>
</compound>
