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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774461
CHEMBL1774461
Compound Name FLORBETAPIR F 18
ChEMBL Synonyms 18F-AV-45 | Amyvid | FLORBETAPIR (18F) | FLORBETAPIR F-18 | FLORBETAPIR F 18
Max Phase 4 (Approved)
Trade Names Amyvid
Molecular Formula C20H25FN2O3

Additional synonyms for CHEMBL1774461 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNc1ccc(\C=C\c2ccc(OCCOCCOCC[18F])nc2)cc1
Standard InChI InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23 ...
Download InChI
Standard InChI Key YNDIAUKFXKEXSV-CRYLGTRXSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1774461

Molecule Features

CHEMBL1774461 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 FLORBETAPIR F 18
The Cochrane Collaboration FLORBETAPIR F 18

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 CHEMBL1774461. 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
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.661
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.362
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.255

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 1.000
CHEMBL4376 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Homo sapiens 0.985
CHEMBL3788 Serine/threonine-protein kinase PLK4 Homo sapiens 0.421

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
360.4 360.1849 3.14 12 52.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.38 3.53 3.53 2 26 0.59

Structural Alerts

There are 9 structural alerts for CHEMBL1774461. 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
V09AX05 - florbetapir (18F)

ChemSpider ChemSpider:YNDIAUKFXKEXSV-CRYLGTRXSA-N
DailyMed florbetapir f-18

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774461



ChEBI 66880
DrugBank DB09149
DrugCentral 4285
EPA CompTox Dashboard DTXSID80241898
FDA SRS 6W15Z5R0RU
Guide to Pharmacology 7344
Nikkaji J3.092.919E J2.952.169G
PubChem 24822371
PubChem: Thomson Pharma 49838449
SureChEMBL SCHEMBL14826096
ZINC ZINC000100090643

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