CHEMBL569270
| SMILES | CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1 |
| InChIKey | UTPGRZGMQVAYAA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 343.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pKi | 5.68 | 5.68 | 5.68 | ChEMBL |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |