Synonyms
Status
Molecule Category UNKNOWN
UNII 5P184180P5

Structure

InChI Key LECZXZOBEZITCL-UHFFFAOYSA-N
Smiles Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3C2C)c1C
InChI
InChI=1S/C22H23FN4/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3/h4-11,16H,12-13H2,1-3H3,(H,24,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23FN4
Molecular Weight 362.45
AlogP 5.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.05
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Inhibition of pig gastric H+/K+-ATPase in stomach ion leaky membrane vesicle assessed as reduction in monophosphate production after 30 mins by microplate reader analysis in presence of valinomycin Sus scrofa 950.0 nM

Cross References

Resources Reference
ChEBI 135529
ChEMBL CHEMBL1618279
DrugBank DB16308
DrugCentral 3525
FDA SRS 5P184180P5
PubChem 204104
SureChEMBL SCHEMBL2194461