CHEMBL5427527
| SMILES | O[C@@H](CNCC1COc2ccccc2O1)COc1cccc2cnccc12 |
| InChIKey | LPDXLTWWYPTGHL-BHWOMJMDSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 366.2 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 5.87 | 5.87 | 5.87 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.99 | 6.99 | 6.99 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 6.97 | 6.97 | 6.97 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.13 | 7.13 | 7.13 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |