FLORBETABEN F18

Search structure
Synonyms:
Status: Approved (2014)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TLA7312TOI

Structure
InChI Key NCWZOASIUQVOFA-FWZJPQCDSA-N
Smile CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1
InChI
InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26FNO3
Molecular Weight 358.44
AlogP 4.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 39.72
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
None Diagnostic agent DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 2-2 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 79033
ChEMBL CHEMBL566752
DrugBank DB09148
DrugCentral 4818
EPA CompTox DTXSID20238065
FDA SRS TLA7312TOI
Guide to Pharmacology 7769
SureChEMBL SCHEMBL11301755
ZINC ZINC000100529288
CONTENTS