CHEMBL3946540
| SMILES | Clc1cccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)c1 |
| InChIKey | QAJBOIGVHPCSNX-FQEVSTJZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 372.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Mouse | Dopamine | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
| D4 | DRD4 | Mouse | Dopamine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| 5-HT2B | 5HT2B | Mouse | 5-Hydroxytryptamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| 5-HT2A | 5HT2A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| α1A | ADA1A | Mouse | Adrenoceptors | A | pKi | 5.04 | 5.04 | 5.04 | ChEMBL |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| D1 | DRD1 | Mouse | Dopamine | A | pKi | 5.69 | 5.69 | 5.69 | ChEMBL |
| α1D | ADA1D | Mouse | Adrenoceptors | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
| 5-HT1D | 5HT1D | Mouse | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |