CHEMBL269467
| SMILES | COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC |
| InChIKey | LISSQGZPXPIKHH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 425.2 |
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 |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 7.66 | 7.66 | 7.66 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 5.5 | 5.5 | 5.5 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |