Structure

InChI Key XFVRBYKKGGDPAJ-UHFFFAOYSA-N
Smiles 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

Bioactivity

Mechanism of Action Action Reference
Glutamate receptor ionotropic AMPA positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed Wikipedia
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 1

Organism : Homo sapiens

P42261 ENSG00000155511
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 2

Organism : Homo sapiens

P42262 ENSG00000120251
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 3

Organism : Homo sapiens

P42263 ENSG00000125675
Protein: Glutamate receptor ionotropic AMPA

Description: Glutamate receptor 4

Organism : Homo sapiens

P48058 ENSG00000152578
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor AMPA receptor
14000 - - - -

Related Entries

Cross References

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