Ligand Data
Ligand
| Name | CHEMBL3691823 |
| SMILES | O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2 |
| InChIKey | AXZNZGVQOXKZLA-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight | 458.1 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| OX1 | OX1R | Rat | Orexin | A (Rhodopsin) | 15.0 | 15.0 | 15.0 | |||
| OX1 | OX1R | Human | Orexin | A (Rhodopsin) | 15.0 | 15.0 | 15.0 | |||
| OX2 | OX2R | Human | Orexin | A (Rhodopsin) | 2100 | 2100 | 2100 | |||