CHEMBL3323655
| SMILES | O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCC[C@@H]3C3CCCCC3)c2s1 |
| InChIKey | HYNOMSZTPOUFRQ-UNEWFSDZSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 376.2 |
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 |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 8.24 | 8.24 | 8.24 | ChEMBL |