CHEMBL101579
| SMILES | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CC2(CCN(CCc4cccc5ccccc45)CC2)O3)c1 |
| InChIKey | QYNFZZOONQJAIB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 530.2 |
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 | 7.28 | 7.28 | 7.28 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |