Molecule Details
| InChIKey | JUQLTPCYUFPYKE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ritanserin |
| Canonical SMILES | Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 25 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12693 |
|---|---|
| Drug Name | Ritanserin |
| CAS Number | 87051-43-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ritanserin has been used in trials studying the treatment of Cocaine-Related Disorders. |
Categories: Anti-Anxiety Agents Antidepressive Agents Antidepressive Agents, Second-Generation Antipsychotic Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Hypoglycemia-Associated Agents Neurotoxic agents Neurotransmitter Agents Piperidines Psychotropic Drugs Pyrimidines Pyrimidinones Selective Serotonin Reuptake Inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT2 Receptor Antagonists Serotonin 5-HT2C Receptor Antagonists Serotonin Agents Serotonin Modulators Serotonin Receptor Antagonists Tranquilizing Agents
Cross-references: BindingDB: 50001775 ChEBI: 64195 CHEMBL267777 ChemSpider: 4896 PDB: E2J PubChem:5074 PubChem:347828894 Wikipedia: Ritanserin ZINC: ZINC000000538314
Target Activities (25)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 8.7 | Ki | ChEMBL |
| P35367 | HRH1 | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL |
| P47898 | HTR5A | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 6.7 | Ki | ChEMBL |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.6 | Kd | ChEMBL |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.5 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 6.5 | Ki | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.4 | Ki | ChEMBL |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.2 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | antagonist | targets |
| P41595 | HTR2B | 5-hydroxytryptamine receptor 2B | antagonist | targets |
| Q00975 | CACNA1B | Voltage-dependent N-type calcium channel subunit alpha-1B | blocker | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | inverse agonist | targets |