ocaperidone
| SMILES | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)cccc2C |
| InChIKey | ZZQNEJILGNNOEP-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 420.2 |
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 |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.7 | 5.7 | 5.7 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| H1 | HRH1 | Guinea pig | Histamine | A | pKd | 8.9 | 9.02 | 9.13 | ChEMBL |
| H3 | HRH3 | Guinea pig | Histamine | A | pKd | 5.2 | 5.2 | 5.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Human | Histamine | A | pEC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |