CHEMBL4160748
| SMILES | COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1F |
| InChIKey | NYBZCKAQIIPSDS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 357.1 |
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 | 6.19 | 6.19 | 6.19 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu8 | GRM8 | Rat | Metabotropic glutamate | C | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| mGlu8 | GRM8 | Human | Metabotropic glutamate | C | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| mGlu7 | GRM7 | Human | Metabotropic glutamate | C | pEC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
| mGlu7 | GRM7 | Rat | Metabotropic glutamate | C | pEC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
| NK1 | NK1R | Human | Tachykinin | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |