CHEMBL3948272
SMILES | Cn1ncnc1S[C@@H]1[C@@H](OCc2ccc(Cl)c(Cl)c2)[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 |
InChIKey | PSQSAQVJYBYDHR-WCPNNMOOSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 472.0 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 7.53 | 7.53 | 7.53 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |