CHEMBL67886
SMILES | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 |
InChIKey | JZTRKWPPNAMGBV-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 582.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |