CHEMBL285881
| SMILES | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O |
| InChIKey | UCLMKQWLGHPTKX-ZCYQVOJMSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 562.2 |
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 | 5.47 | 5.47 | 5.47 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |