CHEMBL4802655
SMILES | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
InChIKey | PCFAQNCKPHVYDF-XJDZXMJWSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 391.0 |
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 | Human | Metabotropic glutamate | C | pKi | 8.03 | 8.03 | 8.03 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 7.25 | 7.25 | 7.25 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pIC50 | 8.01 | 8.01 | 8.01 | ChEMBL |