Structure

InChI Key XFVRBYKKGGDPAJ-UHFFFAOYSA-N
Smile O=C(c1ccc2nonc2c1)N1CCCCC1
InChI
InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H13N3O2
Molecular Weight 231.25
AlogP 1.85
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 59.23
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Glutamate receptor ionotropic AMPA positive allosteric modulator PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
14000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 2 D012559 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1276138
DrugBank DB15012
EPA CompTox DTXSID90175413
FDA SRS 7X6P5N8K2L
PubChem 4118151
SureChEMBL SCHEMBL677135
ZINC ZINC000000007461