Structure

InChI Key PCOBBVZJEWWZFR-UHFFFAOYSA-N
Smiles CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
InChI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18FN3O2
Molecular Weight 303.34
AlogP 3.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 76.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
KCNQ (Kv7) potassium channel opener OPENER FDA PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
350-930 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
350-930 - - - -

Cross References

Resources Reference
ChEBI 68584
ChEMBL CHEMBL41355
DrugBank DB04953
DrugCentral 4181
FDA SRS 12G01I6BBU
Guide to Pharmacology 2601
KEGG C13826
PDB FBX
PubChem 121892
SureChEMBL SCHEMBL20835
ZINC ZINC000000016154