benperidol
| SMILES | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 |
| InChIKey | FEBOTPHFXYHVPL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 381.2 |
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 |
| D2 | DRD2 | Human | Dopamine | A | pKi | 10.57 | 10.57 | 10.57 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 10.18 | 10.18 | 10.18 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.54 | 9.54 | 9.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 10.57 | 10.57 | 10.57 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.42 | 8.59 | 8.92 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.48 | 9.48 | 9.48 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 10.18 | 10.18 | 10.18 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.39 | 5.39 | 5.39 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.99 | 7.99 | 7.99 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 10.57 | 10.57 | 10.57 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 10.18 | 10.18 | 10.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |