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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1908906
CHEMBL1908906
Compound Name FLORBETABEN
ChEMBL Synonyms FLORBETABEN (18F) | BAY-949172 | FLORBETABEN F18 | UNII-TLA7312TOI | FLORBETABEN F-18
Max Phase 4 (Approved)
Trade Names
Molecular Formula C21H26FNO3

Additional synonyms for CHEMBL1908906 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCCF)cc2)cc1
Standard InChI InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11 ...
Download InChI
Standard InChI Key NCWZOASIUQVOFA-NSCUHMNNSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1908906

Molecule Features

CHEMBL1908906 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov FLORBETABEN
The Cochrane Collaboration FLORBETABEN

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1908906. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 1.000
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.998
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.913
CHEMBL3855 UDP-3-O-acyl-GlcNAc deacetylase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 0.580
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.471
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.346
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.310
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.227



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 1.000
CHEMBL2039 Monoamine oxidase B Homo sapiens 0.978
CHEMBL1951 Monoamine oxidase A Homo sapiens 0.634
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.463
CHEMBL3855 UDP-3-O-acyl-GlcNAc deacetylase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) 0.443
CHEMBL4330 Cysteinyl leukotriene receptor 2 Homo sapiens 0.358
CHEMBL4321 Cyclooxygenase-2 Mus musculus 0.293
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.254
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.249

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
359.4 359.1897 3.75 12 39.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.04 3.59 3.59 2 26 0.46

Structural Alerts

There are 10 structural alerts for CHEMBL1908906. To view alerts please click here.

Compound Cross References

ATC V - VARIOUS
V09 - DIAGNOSTIC RADIOPHARMACEUTICALS
V09A - CENTRAL NERVOUS SYSTEM
V09AX - Other central nervous system diagnostic radiopharmaceuticals
V09AX06 - florbetaben (18F)

ChemSpider ChemSpider:NCWZOASIUQVOFA-NSCUHMNNSA-N
DailyMed florbetaben f-18

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1908906



FDA SRS BMO5G62HGB
Nikkaji J2.606.888F
PubChem 53257383
PubChem: Thomson Pharma 124398797
SureChEMBL SCHEMBL2829585
ZINC ZINC000043194409

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NCWZOASIUQVOFA-NSCUHMNNSA-N spacer
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