Structure

InChI Key LTKVFMLMEYCWMK-UHFFFAOYSA-N
Smile Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O
InChI
InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13Cl2N7O3
Molecular Weight 302.12
AlogP -1.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 156.79
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Amiloride-sensitive sodium channel, ENaC blocker PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 2 D003550 ClinicalTrials

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Musculoskeletal and connective tissue disorders
14.13
Nervous system disorders
10.87
Psychiatric disorders
10.87
Gastrointestinal disorders
9.78
General disorders and administration site conditions
8.7
Metabolism and nutrition disorders
8.7
Respiratory, thoracic and mediastinal disorders
7.61
Product issues
5.43
Cardiac disorders
4.35
Investigations
4.35
Injury, poisoning and procedural complications
3.26
Skin and subcutaneous tissue disorders
3.26
Ear and labyrinth disorders
2.17
Vascular disorders
2.17

Cross References

Resources Reference
ChEBI 2640
ChEMBL CHEMBL1398126
EPA CompTox DTXSID80169826
FDA SRS FZJ37245UC
Guide to Pharmacology 2421
KEGG C06821
PDB AMR
PubChem 68540
SureChEMBL SCHEMBL41234
ZINC ZINC04340269