Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 5XGC17ZKUF |
InChI Key | GKGRZLGAQZPEHO-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C21H20FN3O4 |
Molecular Weight | 397.41 |
AlogP | 2.68 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 95.41 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 29.0 |
Action | Mechanism of Action | Reference |
---|---|---|
ANTAGONIST | Glutamate NMDA receptor; GRIN1/GRIN2B antagonist |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Ligand-gated ion channel
Ionotropic glutamate receptor
NMDA receptor
|
- | 4-70 | - | - | 5-10 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Neuralgia | 2 | D009437 | ClinicalTrials |
Spasms, Infantile | 2 | D013036 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 496054-87-6 |
ChEMBL | CHEMBL182066 |
DrugBank | DB12260 |
FDA SRS | 5XGC17ZKUF |
PubChem | 10200813 |
SureChEMBL | SCHEMBL99256 |
ZINC | ZINC000028363953 |