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Compound Detail

CHEMBL1908906

FLORBETABEN
💊 Approved Drug
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💊 Approved Drug
CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1

Basic Information

ChEMBL ID CHEMBL1908906
Name FLORBETABEN
Phase Approved
Structure Type MOL
InChI Key NCWZOASIUQVOFA-NSCUHMNNSA-N
Therapeutic ✓ Yes

Known Names

Florbetaben Florbetaben unlabelled
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
1
Indications

Molecular Properties

359.4
MW (Da)
4.28
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2014
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral
USAN Year 2013

Extended Properties

Molecular Formula C21H26FNO3
MW 359.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.50

Indications

Alzheimer Disease

Activity Summary

Kd 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 16.0 nM 7.8 Ex vivo binding affinity to amyloid beta (1 to 42) in 3xTg-AD transgenic APP/PS1... 33069076

Literature References

PubMed DOI Target Context # Activities
33069076 10.1016/j.bmc.2020.115700 Unchecked 1

Data from ChEMBL 36 via Core Engine