Detailed information for compound 208300

Basic information

Technical information
  • TDR Targets ID: 208300
  • Name: 3-(4-fluorophenyl)-7,8-dimethyl-2-(4-methylsu lfonylphenyl)imidazo[2,1-f]pyridazine
  • MW: 395.45 | Formula: C21H18FN3O2S
  • H donors: 0 H acceptors: 4 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1c(nc2n1ncc(c2C)C)c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C21H18FN3O2S/c1-13-12-23-25-20(16-4-8-17(22)9-5-16)19(24-21(25)14(13)2)15-6-10-18(11-7-15)28(3,26)27/h4-12H,1-3H3
  • InChiKey: JQSYHNUNFSYXCK-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4-fluorophenyl)-2-(4-mesylphenyl)-7,8-dimethyl-imidazo[2,1-f]pyridazine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0101 0.2919
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0093 0.0347 1
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.0093 0.0347 0.0347
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0.0347 1
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0093 0.0347 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0101 0.2919
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0093 0.0347 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 1
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2223 1 1
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0845 0.3754 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.2223 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.0347 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.2223 1 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.0101 0.2919
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0.0347 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.0101 0.2919
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0093 0.0347 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0845 0.3754 0.5
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.0101 0.2919
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0093 0.0347 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0093 0.0347 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0093 0.0347 0.5
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0093 0.0347 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0101 0.2919
Onchocerca volvulus 0.0093 0.0347 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Percentage of inhibition of Prostaglandin G/H synthase 1 activity in human whole blood (HWB) at 10 microM ChEMBL. 11462976
Inhibition (binding) = 0 % Percentage of inhibition of Prostaglandin G/H synthase 1 activity in human whole blood (HWB) at 10 microM ChEMBL. 11462976
Inhibition (binding) = 37.3 % Percentage of inhibition of Prostaglandin G/H synthase 2 activity in human whole blood (HWB) at 1 microM ChEMBL. 11462976
Inhibition (binding) = 37.3 % Percentage of inhibition of Prostaglandin G/H synthase 2 activity in human whole blood (HWB) at 1 microM ChEMBL. 11462976
Inhibition (binding) = 100 % Percentage inhibition of Prostaglandin G/H synthase 2 activity in human whole blood (HWB) at 10 microM ChEMBL. 11462976
Inhibition (binding) = 100 % Percentage inhibition of Prostaglandin G/H synthase 2 activity in human whole blood (HWB) at 10 microM ChEMBL. 11462976

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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