CHEMBL1085270
| SMILES | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 |
| InChIKey | HTODTPFUFZLFBO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 436.2 |
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 |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |