CHEMBL4174168
| SMILES | COc1cc2nc(N3CCC[C@@H](N)C3)nc(N)c2cc1OC |
| InChIKey | NZORUWSOGKMFNY-SECBINFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 303.2 |
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 | Human | Adrenoceptors | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |