CHEMBL3651896
| SMILES | CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChIKey | LVKWUNFNJODDPV-XZOQPEGZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 653.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NK3 | NK3R | Human | Tachykinin | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| NK2 | NK2R | Human | Tachykinin | A | pIC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 10.52 | 10.52 | 10.52 | ChEMBL |