Ligand Data
Ligand
| Name | SCHEMBL2247250 |
| SMILES | CC1=CN=CC(=C1)C2=NC=C(C(=C2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4=CC(=CC=C4)F |
| InChIKey | WLCJVFXNGJWJGY-UHFFFAOYSA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight | 458.5 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| OX2 | ox2r_human | Human | Orexin receptors | Class A (Rhodopsin) | 16.0 | 16.0 | 16.0 | |||
| OX1 | ox1r_human | Human | Orexin receptors | Class A (Rhodopsin) | 1950.0 | 1950.0 | 1950.0 | |||