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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL169703
Compound Name TIFLUADOM
ChEMBL Synonyms Tifluadom
Max Phase 0
Trade Names
Molecular Formula C22H20FN3OS

Additional synonyms for CHEMBL169703 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C(CNC(=O)c2ccsc2)CN=C(c3ccccc3F)c4ccccc14
Standard InChI InChI=1S/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15) ...
Download InChI

Molecule Features

CHEMBL169703 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

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

Structural Alerts

There are no structural alerts for CHEMBL169703

Alternate Forms of Compound in ChEMBL


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 CHEMBL169703. 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.


ChEMBL_ID Target Name Organism Score
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000


ChEMBL_ID Target Name Organism Score
CHEMBL2871 Cholecystokinin A receptor Rattus norvegicus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
393.5 393.1311 4.23 4 72.94 NEUTRAL

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.5 3.39 3.39 3 28 0.72

Compound Cross References

Wikipedia Tifluadom

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL169703

ACToR 83386-35-0 81656-30-6 123903-75-3
BindingDB 50049805
ChEBI 9591
Guide to Pharmacology 1667
IBM Patent System D66DB4C9564A27FED21F82BCFFE9F88D
KEGG Ligand C11797
Nikkaji J33.075B
PubChem 115208
PubChem: Drugs of the Future 12012790
PubChem: Thomson Pharma 14756643

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