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
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 |
| 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 |