MOPERONE
| SMILES | Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 |
| InChIKey | AGAHNABIDCTLHW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 355.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Human | Dopamine | A | pKd | 9.02 | 9.02 | 9.02 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.14 | 9.14 | 9.14 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.74 | 8.96 | 9.15 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.0 | 9.5 | 10.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.92 | 5.92 | 5.92 | PDSP Ki database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 8.72 | 8.72 | 8.72 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.57 | 8.13 | 8.7 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |