Chembl4110178
Chemical Properties
| SMILES | Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)c(C)s1 |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight | 435.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | LWCJWXWXIZQQQQ-CYBMUJFWSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK3 | NK3R | Human | Tachykinin | A | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
| NK3 | NK3R | Human | Tachykinin | A | pKi | 7.5 | 7.5 | 7.5 | ChEMBL |