CHEMBL208328
| SMILES | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 |
| InChIKey | DKQAXJMPOURSQQ-VFNWGFHPSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 425.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.5 | 7.5 | 7.5 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 6.1 | 6.1 | 6.1 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |