CHEMBL3298326
| SMILES | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 |
| InChIKey | SKADTYBOPRWKKH-PMERELPUSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 550.3 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.3 | 9.65 | 10.0 | ChEMBL |