THIIC
| SMILES | Cn1cnc(c1)C(=O)NCc1ccc(cc1)COc1ccc(c(c1C(F)(F)F)O)C(=O)C(C)C |
| InChIKey | RYINQFMHVVYWNS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 475.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | mGlu2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKd | 7.0 | 7.0 | 7.0 | ChEMBL |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 7.65 | 7.65 | 7.65 | Guide to Pharmacology |
| mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pEC50 | 7.89 | 7.89 | 7.89 | Guide to Pharmacology |