Chembl21939
Chemical Properties
| SMILES | COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(-c4ccccc4)cc3)[nH]c3ccc(C)cc23)CC1 |
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight | 529.3 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | ACJFETYSCBTCMR-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |