volinanserin
| SMILES | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O |
| InChIKey | HXTGXYRHXAGCFP-OAQYLSRUSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 373.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.6 | 7.7 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.0 | 6.44 | 6.88 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 7.35 | 7.89 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.82 | 9.41 | 10.0 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKd | 9.85 | 9.85 | 9.85 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.65 | 5.83 | 5.89 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.5 | 7.9 | 9.3 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.32 | 8.32 | 8.32 | ChEMBL |