Molecule Details
| InChIKey | COKMIXFXJJXBQG-NRFANRHFSA-N |
|---|---|
| Compound Name | Tirofiban |
| Canonical SMILES | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.88 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00775 |
|---|---|
| Drug Name | Tirofiban |
| CAS Number | 144494-65-5 |
| Groups | approved investigational |
| ATC Codes | B01AC17 |
| Description | Tirofiban prevents the blood from clotting during episodes of chest pain or a heart attack, or while the patient is undergoing a procedure to treat a blocked coronary artery. It is a non-peptide reversible antagonist of the platelet glycoprotein (GP) IIb/IIIa receptor, and inhibits platelet aggregat... |
Categories: Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Antiplatelet agents Blood and Blood Forming Organs Cardiovascular Agents Decreased Platelet Aggregation Drugs that are Mainly Renally Excreted Fibrin Modulating Agents Hematologic Agents Platelet Aggregation Inhibitors Excl. Heparin
Cross-references: BindingDB: 50004058 ChEBI: 9605 CHEMBL916 ChemSpider: 54912 Drugs Product Database (DPD): 11752 C07965 PDB: AGG PharmGKB: PA451698 PubChem:60947 PubChem:46504678 RxCUI: 73137 Therapeutic Targets Database: DAP000696 Wikipedia: Tirofiban ZINC: ZINC000003806104
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08514 | ITGA2B | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.1 | IC50 | ChEMBL;BindingDB |
| P05106 | ITGB3 | Homo sapiens | Human | PF07974 PF23105 PF18372 PF08725 PF07965 PF00362 PF17205 | 8.0 | IC50 | ChEMBL;BindingDB |
| P06756 | ITGAV | Homo sapiens | Human | PF01839 PF08441 PF20805 PF20806 PF00357 | 8.0 | IC50 | ChEMBL |
| P17301 | ITGA2 | Homo sapiens | Human | PF01839 PF20805 PF20806 PF00092 | 7.5 | IC50 | BindingDB |