CHEMBL110976
SMILES | COc1ccc2c(c1NS(C)(=O)=O)CCCC2c1c[nH]cn1 |
InChIKey | QGXJILYAOYCYBQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 321.1 |
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 |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |