Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A9V5BW73UU

Structure

InChI Key ULRDYYKSPCRXAJ-KRWDZBQOSA-N
Smile CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
InChI
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N2O4S2
Molecular Weight 438.62
AlogP 2.88
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 92.34
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Glutamate receptor ionotropic AMPA positive allosteric modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
150 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1277001
DrugBank DB12717
EPA CompTox DTXSID20190977
FDA SRS A9V5BW73UU
PDB 8SO
PubChem 9889366
SureChEMBL SCHEMBL3045499
ZINC ZINC000000593414