Detailed information for compound 2078195

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 487.45 | Formula: C20H20F3N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(F)(F)F.O=C(N1CCOCC2(C1)OCC(=O)N(C2)c1cccnc1)c1cccs1
  • InChi: 1S/C18H19N3O4S.C2HF3O2/c22-16-10-25-18(12-21(16)14-3-1-5-19-9-14)11-20(6-7-24-13-18)17(23)15-4-2-8-26-15;3-2(4,5)1(6)7/h1-5,8-9H,6-7,10-13H2;(H,6,7)
  • InChiKey: ALWUETKKXAQVGM-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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Onchocerca volvulus 0.0573 0.271 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0146 0.0599 0.0543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Onchocerca volvulus 0.0146 0.0599 0.1476
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0043 0.009 0.009
Brugia malayi Pre-SET motif family protein 0.0503 0.2366 1
Treponema pallidum fructose-bisphosphate aldolase 0.1058 0.5114 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0043 0.009 0.0023
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0043 0.009 0.2269
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0041 0.0079 0.5
Brugia malayi Pre-SET motif family protein 0.0072 0.0233 0.0756
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0199 0.0593
Brugia malayi glutaminase DH11.1 0.0259 0.1159 0.477
Loa Loa (eye worm) glutaminase 2 0.0259 0.1159 0.4798
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0041 0.0079 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0233 0.0175
Leishmania major phosphopantetheinyl transferase-like protein 0.0041 0.0079 0.1458
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0043 0.009 0.0139
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0043 0.009 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0072 0.0233 0.0233
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0199 0.0199
Giardia lamblia Fructose-bisphosphate aldolase 0.1058 0.5114 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.0146 0.0599 0.0599
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0199 0.0142
Trichomonas vaginalis set domain proteins, putative 0.0573 0.271 0.3921
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.0199 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0599 0.2381
Echinococcus granulosus histone lysine methyltransferase setb 0.0072 0.0233 0.0233
Brugia malayi follicle stimulating hormone receptor 0.0149 0.0614 0.2406
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0072 0.0233 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0043 0.009 0.0032
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0517 0.2435 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0072 0.0233 0.0175
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0041 0.0079 0.5
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0041 0.0079 0.0086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0233 0.0805
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0041 0.0079 0.0086
Mycobacterium ulcerans glutaminase 0.0259 0.1159 0.4633
Schistosoma mansoni microtubule-associated protein tau 0.2046 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.007 0.022 0.022
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.0199 0.0593
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1058 0.5114 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0199 0.0593
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0146 0.0599 0.234
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0037 0.0058 0.0058
Echinococcus multilocularis microtubule associated protein 2 0.2046 1 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0037 0.0058 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.0199 0.0593
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0041 0.0079 0.0086
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0199 0.782
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1058 0.5114 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0043 0.009 0.0191
Schistosoma mansoni glutaminase 0.0259 0.1159 0.1107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0233 0.0175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0146 0.0599 0.0599
Loa Loa (eye worm) glutaminase 0.0259 0.1159 0.4798
Echinococcus granulosus Solute carrier family 22 5 0.0704 0.3358 0.3358
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0233 0.0175
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0503 0.2366 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0043 0.009 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0517 0.2435 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0517 0.2435 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0199 0.0199
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0199 0.0142
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0043 0.009 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0043 0.009 0.009
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0149 0.0614 0.2446
Plasmodium vivax SET domain protein, putative 0.0072 0.0233 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1058 0.5114 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0072 0.0233 0.0233

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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