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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1371129
CHEMBL1371129
Compound Name PERFLUNAFENE
ChEMBL Synonyms PERFLUNAFENE
Max Phase 0
Trade Names
Molecular Formula C10F18

Additional synonyms for CHEMBL1371129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1 ...
Download SMILES
Standard InChI InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14 ...
Download InChI
Standard InChI Key UWEYRJFJVCLAGH-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1371129

Molecule Features

CHEMBL1371129 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PERFLUNAFENE
The Cochrane Collaboration PERFLUNAFENE

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 CHEMBL1371129. 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
CHEMBL3974 Proteinase-activated receptor 1 Homo sapiens 0.382
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.296
CHEMBL4699 Isoprenylcysteine carboxyl methyltransferase Homo sapiens 0.234

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3974 Proteinase-activated receptor 1 Homo sapiens 0.311
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.302

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
462.1 461.9713 5.51 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.45 7.45 0 28 0.42

Structural Alerts

There are 5 structural alerts for CHEMBL1371129. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UWEYRJFJVCLAGH-UHFFFAOYSA-N
PubChem SID: 144205827 SID: 170466377 SID: 29217729

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1371129



ACToR 60433-11-6 306-94-5 127964-38-9 60433-12-7
ChEBI 38848
ChemicalBook CB5334140
DrugCentral 2103
eMolecules 506838
EPA CompTox Dashboard DTXSID0046511
IBM Patent System D562B8CF577831F37C411B6E4B885F58
Nikkaji J60.089J
PubChem 9386
PubChem: Thomson Pharma 14882569
SureChEMBL SCHEMBL63605
ZINC ZINC000006827619

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