CHEMBL4861794
| SMILES | Nc1ccc(C(=O)CCCN2CCN(c3ccccn3)CC2)cc1 |
| InChIKey | JPLZGZBACZPXMR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 324.2 |
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 | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.61 | 6.65 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.46 | 7.48 | 7.5 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.75 | 6.78 | 6.81 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |