CHEMBL3616856
SMILES | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
InChIKey | HHUBIRLCPJRLDB-CWOZVJDESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 352.0 |
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 | 7.37 | 7.37 | 7.37 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 8.11 | 8.65 | 9.19 | ChEMBL |