Molecule Details
| InChIKey | PHWBOXQYWZNQIN-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ticlopidine |
| Canonical SMILES | Clc1ccccc1CN1CCc2sccc2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00208 |
|---|---|
| Drug Name | Ticlopidine |
| CAS Number | 55142-85-3 |
| Groups | approved |
| ATC Codes | B01AC05 |
| Description | Ticlopidine is an effective inhibitor of platelet aggregation. It is a prodrug that is metabolised to an active form, which blocks the ADP receptor that is involved in GPIIb/IIIa receptor activation leading to platelet aggregation. Ticlopidine is marketed under the brand name Ticlid and is indicated... |
Categories: Antiplatelet agents Blood and Blood Forming Organs Cardiovascular Agents Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (moderate) Cytochrome P-450 CYP2B6 Inhibitors (strong) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Inhibitors (moderate) Cytochrome P-450 CYP2C19 Inhibitors (strong) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (weak) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Platelet Aggregation Drugs that are Mainly Renally Excreted Enzyme Inhibitors Fibrin Modulating Agents Hematologic Agents Heterocyclic Compounds, Fused-Ring Neurotransmitter Agents Platelet Aggregation Inhibitors Excl. Heparin Purinergic Agents Purinergic Antagonists Purinergic P2 Receptor Antagonists Purinergic P2Y Receptor Antagonists Pyridines Sulfur Compounds Thienopyridines Thiophenes
Cross-references: BindingDB: 85509 ChEBI: 9588 CHEMBL833 ChemSpider: 5273 Drugs Product Database (DPD): 945 C07140 D08594 PDB: TIC PharmGKB: PA451686 PubChem:5472 PubChem:46504438 RxCUI: 10594 Therapeutic Targets Database: DAP000723 Wikipedia: Ticlopidine ZINC: ZINC000019594599
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.6 | IC50 | ChEMBL |
| P20813 | CYP2B6 | Homo sapiens | Human | PF00067 | 6.2 | Ki | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (12)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P05164 | MPO | Myeloperoxidase | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| Q9H244 | P2RY12 | P2Y purinoceptor 12 | antagonist | targets |
| P25105 | PTAFR | Platelet-activating factor receptor | modulator | targets |