CHEMBL1095778
| SMILES | CCCc1cc2c(cc1CCC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 |
| InChIKey | JSWUQIWMTVFTTB-DEOSSOPVSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 420.2 |
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 |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.85 | 7.85 | 7.85 | ChEMBL |