Structure

InChI Key QQBPIHBUCMDKFG-GEEYTBSJSA-N
Smiles Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChI
InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H/b16-15+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12ClN5
Molecular Weight 249.71
AlogP 2.66
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 89.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER PubMed PubMed PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 115.28-115.37
Homo sapiens
- - - - 44

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

Cross References

Resources Reference
ChEMBL CHEMBL1201022
FDA SRS 0EWG668W17
KEGG C19290
SureChEMBL SCHEMBL19357