MGS0039
| SMILES | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O |
| InChIKey | LFAGGDAZZKUVKO-JAGWWQSPSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 377.0 |
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 |
| mGlu3 | GRM3 | Rat | Metabotropic glutamate | C | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 8.66 | 8.66 | 8.66 | ChEMBL |
| mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
| mGlu3 | GRM3 | Rat | Metabotropic glutamate | C | pKi | 8.3 | 8.35 | 8.4 | Guide to Pharmacology |
| mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
| mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pKi | 8.6 | 8.65 | 8.7 | Guide to Pharmacology |
| mGlu7 | GRM7 | Rat | Metabotropic glutamate | C | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| mGlu3 | GRM3 | Rat | Metabotropic glutamate | C | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |
| mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| mGlu5 | GRM5 | Rat | Metabotropic glutamate | C | pIC50 | 4.93 | 4.93 | 4.93 | ChEMBL |
| mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |
| mGlu2 | GRM2 | Rat | Metabotropic glutamate | C | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
| mGlu6 | GRM6 | Rat | Metabotropic glutamate | C | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
| mGlu1 | GRM1 | Rat | Metabotropic glutamate | C | pIC50 | 4.03 | 4.03 | 4.03 | ChEMBL |
| mGlu4 | GRM4 | Rat | Metabotropic glutamate | C | pIC50 | 5.76 | 5.76 | 5.76 | ChEMBL |