CHEMBL418882
| SMILES | COc1ccccc1N1CCN(Cc2ccc(C=O)s2)CC1 |
| InChIKey | NZGIGUXZZCUKJN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 316.1 |
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 | Human | Adrenoceptors | A | pKi | 5.73 | 5.73 | 5.73 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |