Molecule Details
| InChIKey | DZOJBGLFWINFBF-UMSFTDKQSA-N |
|---|---|
| Compound Name | Osanetant |
| Canonical SMILES | CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04872 |
|---|---|
| Drug Name | Osanetant |
| CAS Number | 160492-56-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Developed by Sanofi-Aventis (formerly Sanofi-Synthelabo), osanetant (SR-142801) is an NK3 receptor antagonist which was under development for the treatment of schizophrenia and other Central Nervous System (CNS) disorders. In a review of its R&D portfolio, the company announced in August 2005 that i... |
Categories: Antipsychotic Agents Central Nervous System Agents Central Nervous System Depressants Neurotoxic agents Psychotropic Drugs Tranquilizing Agents
Cross-references: BindingDB: 50291261 CHEMBL346178 ChemSpider: 189901 PubChem:219077 PubChem:175426879 Wikipedia: Osanetant ZINC: ZINC000003935475
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29371 | TACR3 | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P21452 | TACR2 | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P25103 | TACR1 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P29371 | TACR3 | Neuromedin-K receptor | antagonist | targets |