Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5XGC17ZKUF

Structure

InChI Key GKGRZLGAQZPEHO-UHFFFAOYSA-N
Smile O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChI
InChI=1S/C21H20FN3O4/c22-15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)20(27)19(26)23-16-5-6-17-18(12-16)29-21(28)24-17/h1-6,12,14H,7-11H2,(H,23,26)(H,24,28)

Physicochemical Descriptors

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

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neuralgia 2 D009437 ClinicalTrials
Spasms, Infantile 2 D013036 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 496054-87-6
ChEMBL CHEMBL182066
DrugBank DB12260
FDA SRS 5XGC17ZKUF
PubChem 10200813
SureChEMBL SCHEMBL99256
ZINC ZINC000028363953