<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 03:47:15 UTC</creation_date>
  <update_date>2026-08-19 05:13:11 UTC</update_date>
  <accession/>
  <common_name>Ticlopidine</common_name>
  <class>SmallMolecule</class>
  <description>Ticlopidine belongs to the thienopyridines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C14H14ClNS and an average molecular weight of 263.79 g/mol.

This compound is found in or released from ten recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is utilized as an antithrombotic agent. It is also associated with household cleaning and consumer products, including bleaching agents, cigar cigarettes, other smoking requisites, pipe accessories, and non-electric simulated smoking devices. Additionally, it is recorded in electrical and electronic equipment, specifically antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterized by the conductive materials. The recorded route of exposure for this compound is oral.

Ticlopidine interacts with two recorded protein targets. It acts as an antagonist/modulator of the P2Y purinoceptor 12 (P2RY12) and targets the platelet-activating factor receptor (PTAFR).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C14H14ClNS</chemical_formula>
  <average_molecular_weight>263.786</average_molecular_weight>
  <monisotopic_moleculate_weight>263.05354785</monisotopic_moleculate_weight>
  <iupac_name>5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine</iupac_name>
  <traditional_iupac>ticlopidine</traditional_iupac>
  <cas_registry_number>55142-85-3</cas_registry_number>
  <smiles>ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2</smiles>
  <inchi>InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2</inchi>
  <inchikey>PHWBOXQYWZNQIN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Thienopyridines</class>
    <sub_class/>
    <direct_parent>Thienopyridines</direct_parent>
    <alternate_parents>
      <alternative_parent>Aralkylamines</alternative_parent>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzylamines</alternative_parent>
      <alternative_parent>Chlorobenzenes</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Phenylmethylamines</alternative_parent>
      <alternative_parent>Pyridines and derivatives</alternative_parent>
      <alternative_parent>Thiophenes</alternative_parent>
      <alternative_parent>Trialkylamines</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Amine</substituent>
      <substituent>Aralkylamine</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Benzylamine</substituent>
      <substituent>Chlorobenzene</substituent>
      <substituent>Halobenzene</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Phenylmethylamine</substituent>
      <substituent>Pyridine</substituent>
      <substituent>Tertiary aliphatic amine</substituent>
      <substituent>Tertiary amine</substituent>
      <substituent>Thienopyridine</substituent>
      <substituent>Thiophene</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>monochlorobenzenes</descriptor>
      <descriptor>thienopyridine</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Ticlopidine Action Pathway</name>
      <smpdb_id>SMP0000261</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Ticlopidine Metabolism Pathway</name>
      <smpdb_id>SMP0000611</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Ticlopidine Action Pathway (new)</name>
      <smpdb_id>SMP0126467</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Ticlopidine Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0142671</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.25</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.08</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.19e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>7.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>263.786</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>263.05354785</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H14ClNS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PHWBOXQYWZNQIN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>3.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>74.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>27.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf34787a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB00208</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5472</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>5273</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
