FTIDC
| SMILES | CC(N(C(=O)N1CCC(=CC1)c1nnn(c1C)c1cccnc1F)C)C |
| InChIKey | CJTLKLBSIFQKNT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 358.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | mGlu1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pKi | 8.41 | 8.55 | 8.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 8.24 | 8.24 | 8.24 | Guide to Pharmacology |
| mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pIC50 | 8.32 | 8.32 | 8.32 | Guide to Pharmacology |
| mGlu1 | GRM1 | Mouse | Metabotropic glutamate | C | pIC50 | 8.51 | 8.51 | 8.51 | ChEMBL |
| mGlu1 | GRM1 | Human | Metabotropic glutamate | C | pIC50 | 8.24 | 8.25 | 8.25 | ChEMBL |
| mGlu5 | GRM5 | Human | Metabotropic glutamate | C | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |