Ligand Data
Ligand
| Name | CHEMBL264821 |
| SMILES | CC(C)n1cc(C(=O)N2C[C@H](O)CC2C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21 |
| InChIKey | CAWAMDJVBURMIX-OYASOLBTSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight | 566.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| NK1 | NK1R | Guinea pig | Tachykinin | A (Rhodopsin) | 15.9 | 15.9 | 15.9 | |||