CHEMBL2392349
| SMILES | COc1ccccc1N1CCN(CCCCCN2Cc3ccc4ccccc4c3C2=O)CC1 |
| InChIKey | YIIWKHZEONNJTQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 443.3 |
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-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.19 | 7.19 | 7.19 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.37 | 7.37 | 7.37 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.46 | 8.46 | 8.46 | ChEMBL |