CHEMBL106737
| SMILES | COc1ccccc1N1CCN(CC2CN=C3c4ccccc4NC(=O)N32)CC1 |
| InChIKey | FUCGAUZSWYLMRK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 391.2 |
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 | Rat | Adrenoceptors | A | pKi | 9.17 | 9.17 | 9.17 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.59 | 9.59 | 9.59 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.62 | 6.71 | 6.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |