CHEMBL314499
| SMILES | O=C(c1cccc2ccccc12)N1CCC2(CC1)NC(=O)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O |
| InChIKey | WPLMVHBOHQZONH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 535.1 |
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 |
| NK1 | NK1R | Human | Tachykinin | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |