Structure

InChI Key VMIYHDSEFNYJSL-UHFFFAOYSA-N
Smiles O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1
InChI
InChI=1S/C14H10BrN3O/c15-9-4-5-11-10(7-9)14(17-8-13(19)18-11)12-3-1-2-6-16-12/h1-7H,8H2,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10BrN3O
Molecular Weight 316.16
AlogP 2.63
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 54.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
GABA receptor alpha-2 subunit positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed PubMed PubMed PubMed
Protein: GABA receptor alpha-2 subunit

Description: Gamma-aminobutyric acid receptor subunit alpha-2

Organism : Homo sapiens

P47869 ENSG00000151834

Environmental Exposure

Countries
Serbia

Cross References

Resources Reference
ChEBI 31302
ChEMBL CHEMBL277062
DrugBank DB01558
DrugCentral 399
FDA SRS X015L14V0O
Human Metabolome Database HMDB0015511
PharmGKB PA10035
PubChem 2441
SureChEMBL SCHEMBL43933
ZINC ZINC000000001051