Chembl4113741
Chemical Properties
| SMILES | CCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1 |
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight | 372.1 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | UOMUYZXEONWAOD-SNVBAGLBSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK3 | NK3R | Human | Tachykinin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
| NK3 | NK3R | Human | Tachykinin | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 4.62 | 4.62 | 4.62 | ChEMBL |