osanetant
| SMILES | O=C(N1CCC[C@](C1)(CCCN1CCC(CC1)(c1ccccc1)N(C(=O)C)C)c1ccc(c(c1)Cl)Cl)c1ccccc1 |
| InChIKey | DZOJBGLFWINFBF-UMSFTDKQSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 605.3 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |