CHEMBL2348219
| SMILES | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 |
| InChIKey | AEISDSYQXOEKFX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 14 |
| Molecular weight (Da) | 473.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 8.13 | 8.34 | 8.55 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 5.45 | 5.64 | 5.84 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.44 | 8.44 | 8.44 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |