tiospirone
| SMILES | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 |
| InChIKey | ZFZPJDFBJFHYIV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 440.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.67 | 8.68 | 8.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.66 | 7.95 | 8.1 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.75 | 8.14 | 8.54 | ChEMBL |