Molecule Details
| InChIKey | OEKWJQXRCDYSHL-FNOIDJSQSA-N |
|---|---|
| Canonical SMILES | CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08816 |
|---|---|
| Drug Name | Ticagrelor |
| CAS Number | 274693-27-5 |
| Groups | approved investigational |
| ATC Codes | B01AC24 |
| Description | Ticagrelor, or AZD6140, was first described in the literature in 2003.[A204170,A2903] Ticagrelor is an ADP derivative developed for its P2Y<sub>12</sub> receptor antagonism.[A2903] Unlike [clopidogrel], ticagrelor is not a prodrug.[A2903] It is marketed by Astra Zeneca as Brilinta in the US[L14201] ... |
Categories: Anticoagulants Antiplatelet agents Blood and Blood Forming Organs Carbohydrates Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (weak) Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inducers (weak) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Platelet Aggregation Glycosides Hematologic Agents Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides P-glycoprotein inhibitors P-glycoprotein substrates P2Y12 Platelet Inhibitor Phenylalanine Hydroxylase Activators Platelet Aggregation Inhibitors Excl. Heparin Purine Nucleosides Purinergic Agents Purinergic Antagonists Purinergic P2 Receptor Antagonists Purinergic P2Y Receptor Antagonists Purines Ribonucleosides
Cross-references: BindingDB: 50397205 ChEBI: 68558 CHEMBL398435 ChemSpider: 8047109 Drugs Product Database (DPD): 20742 D09017 PDB: TIQ PharmGKB: PA165374673 PubChem:9871419 PubChem:175427101 RxCUI: 1116632 Wikipedia: Ticagrelor ZINC: ZINC000028957444
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | activator | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| Q9H244 | P2RY12 | P2Y purinoceptor 12 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |