Structure

InChI Key FFGPTBGBLSHEPO-UHFFFAOYSA-N
Smiles NC(=O)N1c2ccccc2C=Cc2ccccc21
InChI
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12N2O
Molecular Weight 236.27
AlogP 3.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 1.6
Cricetulus griseus
- - - - 99.43-121.62
Homo sapiens
- - - - 8.4-35
Mus musculus
- - - - 0-100
Rattus norvegicus
- - - - -2.9-64.8

Target Conservation

Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 1 subunit alpha

Organism : Homo sapiens

P35498 ENSG00000144285
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 4 subunit alpha

Organism : Homo sapiens

P35499 ENSG00000007314
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 5 subunit alpha

Organism : Homo sapiens

Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 9 subunit alpha

Organism : Homo sapiens

Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 2 subunit alpha

Organism : Homo sapiens

Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 3 subunit alpha

Organism : Homo sapiens

Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 11 subunit alpha

Organism : Homo sapiens

Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 8 subunit alpha

Organism : Homo sapiens

Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit

Description: Sodium channel protein type 10 subunit alpha

Organism : Homo sapiens

Q9Y5Y9 ENSG00000185313

Environmental Exposure

Countries
Bangladesch
Croatia
Czech Republic
Germany
Hungary
India
Romania
Serbia
Slovakia
Slovenia
South Africa
Spain
Sweden
USA
Vietnam

Cross References

Resources Reference
ChEBI 3387
ChEMBL CHEMBL108
DrugBank DB00564
DrugCentral 489
FDA SRS 33CM23913M
Human Metabolome Database HMDB0014704
Guide to Pharmacology 5339
KEGG C06868
PDB N6W
PharmGKB PA448785
PubChem 2554
SureChEMBL SCHEMBL21639
ZINC ZINC000000004785