CHEMBL522194
| SMILES | COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1 |
| InChIKey | NQNRCHXTCUMIPZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 489.2 |
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 |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.54 | 7.54 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.15 | 7.15 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.04 | 7.04 | 7.04 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |