CHEMBL331744
SMILES | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 |
InChIKey | YRGWQUSTRJHRQE-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 640.1 |
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 | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.37 | 8.37 | 8.37 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.08 | 5.08 | 5.08 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.57 | 5.57 | 5.57 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.85 | 5.85 | 5.85 | ChEMBL |