Molecule Details
| InChIKey | ZNRGQMMCGHDTEI-ITGUQSILSA-N |
|---|---|
| Canonical SMILES | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1c[nH]c3ccccc13)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.92 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11699 |
|---|---|
| Drug Name | Tropisetron |
| CAS Number | 89565-68-4 |
| Groups | approved investigational withdrawn |
| ATC Codes | A04AA03 |
| Description | Tropisetron is an indole derivative with antiemetic activity. As a selective serotonin receptor antagonist, tropisetron competitively blocks the action of serotonin at 5HT3 receptors, resulting in suppression of chemotherapy- and radiotherapy-induced nausea and vomiting. Tropisetron appears to be we... |
Categories: Alimentary Tract and Metabolism Antiarrhythmic agents Antidepressive Agents Antiemetics Antiemetics and Antinauseants Autonomic Agents Central Nervous System Agents Central Nervous System Depressants Drugs that are Mainly Renally Excreted Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Indoles Neurotransmitter Agents Peripheral Nervous System Agents Serotonin 5-HT3 Receptor Antagonists Serotonin Agents Serotonin Receptor Antagonists
Cross-references: BindingDB: 50108392 ChEBI: 32269 CHEMBL56564 ChemSpider: 16736476 C13666 PDB: TKT PubChem:656665 PubChem:347828064 RxCUI: 27392 Wikipedia: Tropisetron ZINC: ZINC000100019233
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P46098 | HTR3A | Homo sapiens | Human | PF02931 PF02932 | 8.6 | Ki | ChEMBL |
| A5X5Y0 | HTR3E | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Kd | ChEMBL |
| O95264 | HTR3B | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Kd | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL |
| Q70Z44 | HTR3D | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Kd | ChEMBL |
| Q8WXA8 | HTR3C | Homo sapiens | Human | PF02931 PF02932 | 8.3 | Kd | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 8.2 | Ki | ChEMBL |
| Q13639 | HTR4 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.5 | IC50 | ChEMBL |