CHEMBL4802733
SMILES | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
InChIKey | PVCLSZDVATUGHR-XJDZXMJWSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 359.1 |
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 |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu8 | GRM8 | Human | Metabotropic glutamate | C | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
mGlu6 | GRM6 | Human | Metabotropic glutamate | C | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 8.21 | 8.41 | 8.6 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pIC50 | 7.79 | 8.09 | 8.39 | ChEMBL |