CHEMBL291246
SMILES | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 |
InChIKey | PHRCAOKGQTVTFO-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 601.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.02 | 5.02 | 5.02 | ChEMBL |