CHEMBL1630939
SMILES | COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O |
InChIKey | ZGUOYAOEHJPFST-LJQANCHMSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 470.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.49 | 9.49 | 9.49 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.46 | 9.46 | 9.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |