CHEMBL278751
| SMILES | CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C |
| InChIKey | BTOJYCTUJJHANF-WMLDXEAASA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 275.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | D3 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 7.75 | 7.82 | 7.89 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.0 | 7.41 | 7.82 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.32 | 7.32 | 7.32 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.9 | 8.27 | 8.4 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.64 | 6.71 | 6.78 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.2 | 7.64 | 7.89 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |