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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200607
CHEMBL1200607
Compound Name PERFLEXANE
ChEMBL Synonyms PERFLEXANE | AF0150 | AF-0150
Max Phase 4 (Approved)
Trade Names
Molecular Formula C6F14

Additional synonyms for CHEMBL1200607 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Standard InChI InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18 ...
Download InChI
Standard InChI Key ZJIJAJXFLBMLCK-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1200607

Molecule Features

CHEMBL1200607 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:Discontinued

Clinical Data

ClinicalTrials.gov PERFLEXANE
The Cochrane Collaboration PERFLEXANE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200607. 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
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.987
CHEMBL4698 Malonyl-CoA decarboxylase Homo sapiens 0.971
CHEMBL4093 LXR-beta Homo sapiens 0.666
CHEMBL3714704 Kinase Mus musculus 0.631
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.626
CHEMBL2808 LXR-alpha Homo sapiens 0.593
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.511
CHEMBL4897 Serine/threonine-protein kinase PLK3 Homo sapiens 0.465
CHEMBL1908389 Mitogen-activated protein kinase kinase kinase 12 Homo sapiens 0.453
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.371
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.280



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.990
CHEMBL4698 Malonyl-CoA decarboxylase Homo sapiens 0.962
CHEMBL3112387 Glucokinase Mus musculus 0.885
CHEMBL4093 LXR-beta Homo sapiens 0.759
CHEMBL3714704 Kinase Mus musculus 0.579
CHEMBL205 Carbonic anhydrase II Homo sapiens 0.579
CHEMBL2808 LXR-alpha Homo sapiens 0.567
CHEMBL4897 Serine/threonine-protein kinase PLK3 Homo sapiens 0.475
CHEMBL1908389 Mitogen-activated protein kinase kinase kinase 12 Homo sapiens 0.411
CHEMBL3383 Carboxylesterase Sus scrofa 0.366
CHEMBL261 Carbonic anhydrase I Homo sapiens 0.358
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.351
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.325
CHEMBL1075152 Glucokinase regulatory protein Homo sapiens 0.271

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
338 337.9776 4.65 3 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
- - 5.09 5.09 0 20 0.66

Structural Alerts

There are 6 structural alerts for CHEMBL1200607. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZJIJAJXFLBMLCK-UHFFFAOYSA-N
PubChem SID: 144205881

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200607



ACToR 154452-93-4 355-42-0
ChEBI 39427
DrugCentral 3429
eMolecules 494365
EPA CompTox Dashboard DTXSID7046548
FDA SRS FX3WJ41CMX
IBM Patent System 93A152000F3317883FF200F5F76996DC
MolPort MolPort-000-158-061
Nikkaji J43.344F
NMRShiftDB 20162064
PubChem 9639
PubChem: Thomson Pharma 14875550
SureChEMBL SCHEMBL33789
ZINC ZINC000006827705

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