Detailed information for compound 1365776

Basic information

Technical information
  • TDR Targets ID: 1365776
  • Name: 2-methyl-N-[2,2,2-trichloro-1-[[2-chloro-5-(t rifluoromethyl)phenyl]amino]ethyl]propanamide
  • MW: 412.062 | Formula: C13H13Cl4F3N2O
  • H donors: 2 H acceptors: 1 LogP: 6.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)NC(C(Cl)(Cl)Cl)Nc1cc(ccc1Cl)C(F)(F)F
  • InChi: 1S/C13H13Cl4F3N2O/c1-6(2)10(23)22-11(12(15,16)17)21-9-5-7(13(18,19)20)3-4-8(9)14/h3-6,11,21H,1-2H3,(H,22,23)
  • InChiKey: OTRXTFIVXJNQHL-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-methyl-N-[2,2,2-trichloro-1-[[2-chloro-5-(trifluoromethyl)phenyl]amino]ethyl]propionamide
  • ST5336522
  • BAS 00136903
  • MLS000561731
  • N-[2,2,2-Trichloro-1-(2-chloro-5-trifluoromethyl-phenylamino)-ethyl]-isobutyramide
  • SMR000173948

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Leishmania major hypothetical protein, conserved 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0068 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0068 1 0.5
Leishmania major hypothetical protein, conserved 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Echinococcus granulosus lamin 0.0033 0.3012 0.2782
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0068 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0068 1 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0068 1 1
Loa Loa (eye worm) dehydrogenase 0.0068 1 1
Echinococcus granulosus carbonyl reductase 1 0.0068 1 1
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0068 1 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0068 1 1
Brugia malayi Dehydrogenases, short chain protein 30 0.0068 1 1
Entamoeba histolytica short chain dehydrogenase family protein 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0319 0.0319
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0068 1 0.5
Echinococcus granulosus hypothetical protein 0.0068 1 1
Echinococcus multilocularis oxidoreductase 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0068 1 1
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0068 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8517 0.8517
Loa Loa (eye worm) dehydrogenase 0.0068 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0068 1 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0068 1 1
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0068 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0068 1 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0068 1 0.5
Mycobacterium leprae Probable oxidoreductase 0.0068 1 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Entamoeba histolytica hypothetical protein, conserved 0.0068 1 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2588 0.2588
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0068 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0068 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.3012 0.3012
Schistosoma mansoni retinal dehydrogenase 0.0068 1 1
Leishmania major hypothetical protein, conserved 0.0068 1 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8517 0.8517
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0068 1 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0068 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0068 1 0.5
Onchocerca volvulus 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Schistosoma mansoni lamin 0.0033 0.3012 0.2782
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Echinococcus granulosus lamin dm0 0.0033 0.3012 0.2782
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Leishmania major dehydrogenase-like protein 0.0068 1 1
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0068 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Onchocerca volvulus 0.0068 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0319 0.0319
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Mycobacterium ulcerans dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0068 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.0068 1 1
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Brugia malayi dehydrogenases, short chain protein 9 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0068 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0068 1 0.5
Brugia malayi intermediate filament protein 0.0033 0.3012 0.3012
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0068 1 0.5
Onchocerca volvulus 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0068 1 1
Leishmania major short chain dehydrogenase, putative 0.0068 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Mycobacterium ulcerans dehydrogenase/reductase 0.0068 1 0.5
Echinococcus multilocularis musashi 0.0033 0.3012 0.2782
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Leishmania major oxidoreductase-like protein 0.0068 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8517 0.8517
Echinococcus multilocularis transient receptor potential cation channel 0.0068 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.3012 0.3012
Echinococcus multilocularis steroid dehydrogenase 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis lamin 0.0033 0.3012 0.2782
Trypanosoma brucei oxidoreductase-like protein 0.0068 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4723 0.4723
Entamoeba histolytica short chain dehydrogenase family protein 0.0068 1 0.5
Brugia malayi hypothetical protein 0.002 0.0439 0.0439
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Toxoplasma gondii carbonyl reductase 1, putative 0.0068 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0319 0.0319
Echinococcus granulosus retinol dehydrogenase 11 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Giardia lamblia Hypothetical protein 0.0068 1 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0068 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0068 1 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Leishmania major pteridine reductase 1 0.0068 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0068 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0068 1 1
Plasmodium vivax hypothetical protein, conserved 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Echinococcus granulosus carbonyl reductase 1 0.0068 1 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0068 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Echinococcus granulosus hypothetical protein 0.0068 1 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0068 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Onchocerca volvulus 0.0068 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0068 1 1
Schistosoma mansoni lamin 0.0033 0.3012 0.2782
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Echinococcus granulosus carbonyl reductase 1 0.0068 1 1
Leishmania major short chain dehydrogenase/reductase, putative 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0068 1 1
Toxoplasma gondii oxidoreductase, putative 0.0068 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Entamoeba histolytica hypothetical protein 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Echinococcus multilocularis retinol dehydrogenase 13 0.0068 1 1
Trichomonas vaginalis steroid dehydrogenase, putative 0.0068 1 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.3012 0.3012
Echinococcus granulosus WW domain containing oxidoreductase 0.0068 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0068 1 0.5
Brugia malayi hypothetical protein 0.0068 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0068 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.4723 0.4723
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Giardia lamblia Reductase, putative 0.0068 1 0.5
Onchocerca volvulus 0.0068 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Echinococcus granulosus steroid dehydrogenase 0.0068 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Schistosoma mansoni carbonyl reductase 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Brugia malayi hypothetical protein 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0068 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0068 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0068 1 1
Leishmania major hypothetical protein, conserved 0.0068 1 1
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0068 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0068 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0068 1 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Plasmodium falciparum steroid dehydrogenase, putative 0.0068 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0068 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0068 1 1
Toxoplasma gondii oxidoreductase, putative 0.0068 1 1
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0068 1 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.3012 0.2782
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Brugia malayi hypothetical protein 0.003 0.2588 0.2588
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0068 1 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0068 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Mycobacterium ulcerans ketoacyl reductase 0.0068 1 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0068 1 1
Onchocerca volvulus Sepiapterin reductase homolog 0.0068 1 1
Leishmania major short chain dehydrogenase, putative 0.0068 1 1
Echinococcus granulosus retinol dehydrogenase 11 0.0068 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0068 1 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0068 1 1
Leishmania major 3-keto-dihydrosphingosine reductase 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0068 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Brugia malayi Retinol dehydrogenase 12 0.0068 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.4723 0.4549
Mycobacterium ulcerans oxidoreductase 0.0068 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0068 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Echinococcus granulosus oxidoreductase 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0068 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0068 1 1
Leishmania major hypothetical protein, conserved 0.0068 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.8517 0.8517
Plasmodium vivax steroid dehydrogenase, putative 0.0068 1 1
Echinococcus multilocularis steroid dehydrogenase 0.0068 1 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0068 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.3012 0.3012
Onchocerca volvulus 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0068 1 1
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Schistosoma mansoni steroid dehydrogenase 0.0068 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0068 1 1
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0068 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.3012 0.2782
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 1 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0068 1 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0068 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Leishmania major short chain dehydrogenase-like protein 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0068 1 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0068 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0068 1 1
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0068 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Brugia malayi dehydrogenases, short chain protein 2 0.0068 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0319 0.0319
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0068 1 1
Brugia malayi Dehydrogenases, short chain protein 2 0.0068 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0068 1 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 1 1
Giardia lamblia Short-chain dehydrogenase, putative 0.0068 1 0.5
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0068 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0068 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.3012 0.2782
Mycobacterium ulcerans short-chain dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0068 1 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0068 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0068 1 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0068 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0068 1 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0068 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0068 1 1
Schistosoma mansoni carbonyl reductase 0.0068 1 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0068 1 0.5
Brugia malayi oxidoreductase 0.0068 1 1
Schistosoma mansoni carbonyl reductase 0.0068 1 1
Onchocerca volvulus 0.0068 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0068 1 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0068 1 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.2893 0.2893
Trypanosoma cruzi hypothetical protein, conserved 0.0068 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0068 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0068 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6626 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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