CHEMBL98975
SMILES | OC(CNCCOc1ccc(-n2ccnc2)cc1)COc1ccccc1 |
InChIKey | XMLOXOFMPHIHFN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 353.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |