CHEMBL1258257
SMILES | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F |
InChIKey | LLFZUKMTOZHVQK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 478.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.08 | 8.08 | 8.08 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |