Structure

InChI Key QQBPIHBUCMDKFG-GEEYTBSJSA-N
Smile 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

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker PubMed PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 3 D014552 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture

Cross References

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