Ligand Data
Ligand
| Name | CHEMBL3608938 |
| SMILES | CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(C)NC(=O)C(CC5=CC=C(C=C5)O)N |
| InChIKey | HNLXDBKQNYDVCI-WFKCRPRESA-N |
| Type | small molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 23 |
| Molecular weight | 982.0 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| δ | oprd_human | Human | Opioid receptors | Class A (Rhodopsin) | 0.38 | 0.38 | 0.38 | |||
| μ | oprm_rat | Rat | Opioid receptors | Class A (Rhodopsin) | 25.0 | 25.0 | 25.0 | |||
| δ | oprd_mouse | Mouse | Opioid receptors | Class A (Rhodopsin) | 6.0 | 6.0 | 6.0 | |||