CHEMBL1962756
| SMILES | COc1ccccc1OCCNC[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]1O |
| InChIKey | LGNZQRMYJQAMTQ-QFQXNSOFSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 417.2 |
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 |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.96 | 6.96 | 6.96 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |