Ligand Data
Ligand
| Name | CHEMBL279674 |
| SMILES | COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1 |
| InChIKey | NNGQEROFSCIFQE-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight | 473.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| NK1 | NK1R | Human | Tachykinin | A (Rhodopsin) | 5.6 | 5.6 | 5.6 | |||