CHEMBL491251
SMILES | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 |
InChIKey | DWAKJSOEJNKPME-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 397.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 |
CaS | CASR | Human | Calcium-sensing | C | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.68 | 7.68 | 7.68 | ChEMBL |