FLORBETAPIR

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Synonyms
Status
Molecule Category Free-form
UNII 6867Q6IKOD
EPA CompTox DTXSID90239781

Structure

InChI Key YNDIAUKFXKEXSV-NSCUHMNNSA-N
Smiles CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25FN2O3
Molecular Weight 360.43
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 11.4-12.8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 11.4-12.8 -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1908919
FDA SRS 6867Q6IKOD
Guide to Pharmacology 7344
PubChem 57396865
SureChEMBL SCHEMBL3356976
ZINC ZINC000043207237
CONTENTS