Detailed information for compound 842655

Basic information

Technical information
  • TDR Targets ID: 842655
  • Name: N-(2,5-dimethylphenyl)-6-(4-ethoxyphenyl)-3-e thyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1, 3,4]thiadiazine-7-carboxamide
  • MW: 437.558 | Formula: C23H27N5O2S
  • H donors: 2 H acceptors: 3 LogP: 4.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C1Nn2c(CC)nnc2SC1C(=O)Nc1cc(C)ccc1C
  • InChi: 1S/C23H27N5O2S/c1-5-19-25-26-23-28(19)27-20(16-9-11-17(12-10-16)30-6-2)21(31-23)22(29)24-18-13-14(3)7-8-15(18)4/h7-13,20-21,27H,5-6H2,1-4H3,(H,24,29)
  • InChiKey: FWQMEHQQUHCYPO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0052 0.2275 0.3126
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.814 0.814
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.1515 0.5
Loa Loa (eye worm) hypothetical protein 0.013 0.7278 0.8264
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.1515 1
Trypanosoma cruzi prolyl endopeptidase 0.013 0.7278 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0052 0.2275 0.5
Echinococcus granulosus prolyl endopeptidase 0.013 0.7278 0.7278
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.013 0.7278 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1746 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0052 0.2275 0.3126
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.013 0.7278 0.7278
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0052 0.2275 0.3126
Trypanosoma cruzi oligopeptidase b 0.0052 0.2275 0.3126
Trypanosoma brucei oligopeptidase b 0.0052 0.2275 0.3126
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.8405 0.8405
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1746 0.5
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0052 0.2275 0.3126
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1746 0.1746
Loa Loa (eye worm) hypothetical protein 0.0153 0.8806 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0052 0.2275 0.5
Brugia malayi prolyl oligopeptidase family protein 0.013 0.7278 0.8264
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0116 0.6406 1
Leishmania major oligopeptidase b 0.0052 0.2275 0.3126
Mycobacterium tuberculosis Probable peptidase 0.0052 0.2275 0.3551
Schistosoma mansoni hypothetical protein 0.0172 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.013 0.7278 0.7278
Trypanosoma brucei prolyl oligopeptidase, putative 0.0052 0.2275 0.3126
Schistosoma mansoni hypothetical protein 0.0172 1 1
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.8405 0.9544
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0052 0.2275 0.3551
Trypanosoma brucei prolyl endopeptidase 0.013 0.7278 1
Echinococcus multilocularis geminin 0.0172 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.8405 0.8405
Brugia malayi hypothetical protein 0.0153 0.8806 1
Onchocerca volvulus 0.0153 0.8806 1
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.1515 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1746 0.2399
Toxoplasma gondii prolyl endopeptidase 0.013 0.7278 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1746 0.2399
Trypanosoma cruzi oligopeptidase b 0.0052 0.2275 0.3126
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1746 1
Echinococcus multilocularis prolyl endopeptidase 0.013 0.7278 0.7278
Loa Loa (eye worm) acetyltransferase 0.0147 0.8405 0.9544

Activities

No activities found for this compound.

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

No literature references available for this target.

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