CHEMBL2348218
| SMILES | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 |
| InChIKey | QBHWFJABBIHHGB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 527.2 |
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 |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 8.5 | 8.75 | 9.0 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 5.58 | 5.58 | 5.58 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 5.91 | 5.98 | 6.05 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.64 | 8.64 | 8.64 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |