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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1663
CHEMBL1663
Compound Name PERFLUTREN
ChEMBL Synonyms FS-069 | FS069 | DMP-115 | MRX-115 | Definity | Perflutren
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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1663

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 0.985
CHEMBL4093 LXR-beta Homo sapiens 0.611
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.587
CHEMBL2808 LXR-alpha Homo sapiens 0.391
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.280
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.245
CHEMBL240 HERG Homo sapiens 0.228
CHEMBL3024 Serine/threonine-protein kinase PLK1 Homo sapiens 0.214



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4698 Malonyl-CoA decarboxylase Homo sapiens 0.982
CHEMBL4093 LXR-beta Homo sapiens 0.888
CHEMBL3112387 Glucokinase Mus musculus 0.835
CHEMBL2808 LXR-alpha Homo sapiens 0.730
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.505
CHEMBL2034 Glucocorticoid receptor Homo sapiens 0.347
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.322
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.265
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.251

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1663



ACToR 76-19-7 218599-63-4
ChEBI 31980
DrugBank DB00556
eMolecules 910364
FDA SRS CK0N3WH0SR
Human Metabolome Database HMDB14696
IBM Patent System F7F5153F46A4BCDBD1956118E6587E54
Nikkaji J353K
PubChem 6432
PubChem: Thomson Pharma 15171459
SureChEMBL SCHEMBL34348

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