CHEMBL1083666
| SMILES | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O |
| InChIKey | NQCMFGYMKMHVQO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 516.3 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.42 | 7.42 | 7.42 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |