ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1663
CHEMBL1663
Compound Name PERFLUTREN
ChEMBL Synonyms DEFINITY | DMP 115 | FS069 | MRX-115 | PERFLUTREN | FS-069 | DMP-115
Max Phase 4 (Approved)
Trade Names DEFINITY
Molecular Formula C3F8

Additional synonyms for CHEMBL1663 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)C(F)(F)C(F)(F)F
Standard InChI InChI=1S/C3F8/c4-1(5,2(6,7)8)3(9,10)11
Standard InChI Key QYSGYZVSCZSLHT-UHFFFAOYSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1663

Molecule Features

CHEMBL1663 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:Y Availability Type:Prescription-only

Clinical Data

ClinicalTrials.gov PERFLUTREN
The Cochrane Collaboration PERFLUTREN

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 CHEMBL1663. 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
CHEMBL4698 Malonyl-CoA decarboxylase Homo sapiens 0.977
CHEMBL4093 LXR-beta Homo sapiens 0.708
CHEMBL1886 Potassium channel, inwardly rectifying, subfamily J, member 11 Homo sapiens 0.629
CHEMBL2808 LXR-alpha Homo sapiens 0.549
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.263
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.208



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4698 Malonyl-CoA decarboxylase Homo sapiens 0.973
CHEMBL4093 LXR-beta Homo sapiens 0.922
CHEMBL2808 LXR-alpha Homo sapiens 0.862
CHEMBL3112387 Glucokinase Mus musculus 0.773
CHEMBL1886 Potassium channel, inwardly rectifying, subfamily J, member 11 Homo sapiens 0.708
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.242
CHEMBL1163116 Cholesteryl ester transfer protein Oryctolagus cuniculus 0.216

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
188 187.9872 2.69 2 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.77 2.77 0 11 0.58

Structural Alerts

There are 5 structural alerts for CHEMBL1663. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QYSGYZVSCZSLHT-UHFFFAOYSA-N
DailyMed perflutren
Wikipedia Octafluoropropane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1663



ACToR 218599-63-4 76-19-7
ChEBI 31980
DrugBank DB00556
DrugCentral 2104
eMolecules 910364
EPA CompTox Dashboard DTXSID9052503
FDA SRS CK0N3WH0SR
Human Metabolome Database HMDB0014696
IBM Patent System F7F5153F46A4BCDBD1956118E6587E54
Nikkaji J353K
PharmGKB PA164781354
PubChem 6432
PubChem: Thomson Pharma 15171459
SureChEMBL SCHEMBL34348
ZINC ZINC000008214651

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