CHEMBL4300210
SMILES | CNc1ccc2c(c1)C(NCCOc1cc(F)ccc1F)CCS2(=O)=O |
InChIKey | SYFDHJWBGXAUQK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 382.1 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.07 | 9.07 | 9.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |