CHEMBL228417
| SMILES | COc1ccc(C[C@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1 |
| InChIKey | WHAUNCTVVNUUIP-KPZWWZAWSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 317.2 |
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 |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 4.8 | 5.17 | 5.54 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |