CHEMBL3896355
| SMILES | COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccc(OCCCN4CCOCC4)cc3)CC2)cc1 |
| InChIKey | YFWYOPIREDLCQN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 614.4 |
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 |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.73 | 7.73 | 7.73 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |