CHEMBL111463
SMILES | CN(c1cccc2c1CCCC2c1c[nH]cn1)S(C)(=O)=O |
InChIKey | FVFGLHKVXSNGFR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 305.1 |
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 |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |