Structure

InChI Key YNDIAUKFXKEXSV-CRYLGTRXSA-N
Smiles CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1
InChI
InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25FN2O3
Molecular Weight 359.43
AlogP 3.68
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 52.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Diagnostic agent None DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 2.87-2.9 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 2.87-2.9 -

Related Entries

Cross References

Resources Reference
ChEBI 66880
ChEMBL CHEMBL1774461
DrugBank DB09149
DrugCentral 4285
FDA SRS 6W15Z5R0RU
Guide to Pharmacology 7344
SureChEMBL SCHEMBL14826096
ZINC ZINC000100090643