CHEMBL79990
| SMILES | CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1 |
| InChIKey | QUFMDMYSYWGKMF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 460.2 |
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 |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |