CHEMBL3616854
SMILES | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
InChIKey | YSOWRGMLMZQSBX-LWEFNAMFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 284.1 |
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 |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
mGlu2 | GRM2 | Human | Metabotropic glutamate | C | pEC50 | 7.16 | 7.55 | 7.95 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pIC50 | 5.37 | 5.44 | 5.51 | ChEMBL |
mGlu3 | GRM3 | Human | Metabotropic glutamate | C | pEC50 | 6.64 | 6.64 | 6.64 | ChEMBL |