Structure

InChI Key FNYLWPVRPXGIIP-UHFFFAOYSA-N
Smile Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
InChI
InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11N7
Molecular Weight 253.27
AlogP 0.83
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 129.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Amiloride-sensitive sodium channel, ENaC blocker PubMed DailyMed Wikipedia
Primary Target
ENaCαβγ

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Death, Sudden, Cardiac 3 D016757 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials

Related Entries

Scaffolds

Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
23.29
Injury, poisoning and procedural complications
12.33
Investigations
12.33
Metabolism and nutrition disorders
9.59
Nervous system disorders
6.85
General disorders and administration site conditions
5.48
Musculoskeletal and connective tissue disorders
5.48
Psychiatric disorders
5.48
Cardiac disorders
4.11
Endocrine disorders
2.74
Infections and infestations
2.74
Respiratory, thoracic and mediastinal disorders
2.74

Cross References

Resources Reference
CAS NUMBER 396-01-0
ChEBI 9671
ChEMBL CHEMBL585
DrugBank DB00384
DrugCentral 2728
EPA CompTox DTXSID6021373
FDA SRS WS821Z52LQ
Human Metabolome Database HMDB0001940
Guide to Pharmacology 4329
PDB DX2
PharmGKB PA451752
PubChem 5546
SureChEMBL SCHEMBL40707
ZINC ZINC000000120286