Detailed information for compound 1298746

Basic information

Technical information
  • TDR Targets ID: 1298746
  • Name: 1-(2,4-dichlorobenzyl)-3-(4-ethyl-5-thioxo-1H -1,2,4-triazol-3-yl)-2-pyridone
  • MW: 381.28 | Formula: C16H14Cl2N4OS
  • H donors: 0 H acceptors: 3 LogP: 3.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(S)nnc1c1cccn(c1=O)Cc1ccc(cc1Cl)Cl
  • InChi: 1S/C16H14Cl2N4OS/c1-2-22-14(19-20-16(22)24)12-4-3-7-21(15(12)23)9-10-5-6-11(17)8-13(10)18/h3-8H,2,9H2,1H3,(H,20,24)
  • InChiKey: NUVZPJGYCAGLNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,4-dichlorobenzyl)-3-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2(1H)-pyridinone
  • 1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
  • 1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyridin-2-one
  • 1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)-2-pyridinone
  • 10E-361S
  • Bionet1_000531
  • MLS000694613
  • Oprea1_013411
  • SMR000333288
  • ZINC03041816

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
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
Loa Loa (eye worm) hypothetical protein 0.0034 0.0484 0.0484
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0772 0.1466
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0772 0.1466
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0772 0.0772
Toxoplasma gondii dihydropteroate synthase 0.0348 0.6446 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0027 0.0051
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0325 0.0325
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0079 0.0253
Loa Loa (eye worm) hypothetical protein 0.0009 0.0027 0.0027
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0772 0.1466
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0292 0.0292
Brugia malayi Pre-SET motif family protein 0.0251 0.4618 0.4618
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.1243 0.399
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0079 0.0079
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0604 0.0937
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1243 0.2631
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0655 0.1243
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.4724 1
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0174 0.027
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0079 0.015
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.1243 0.1243
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0012 0.0022
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0144 0.0304
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0079 0.0253
Onchocerca volvulus 0.0036 0.0531 0.0531
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Mycobacterium leprae Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS) 0.0128 0.2278 0.3009
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0027 0.0027
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0484 0.0484
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0012 0.0022
Mycobacterium leprae PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2) 0.0128 0.2278 0.3009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0079 0.015
Schistosoma mansoni dishevelled 0.0009 0.0027 0.0086
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0484 0.1026
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) 0.0348 0.6446 1
Brugia malayi MH2 domain containing protein 0.0009 0.0012 0.0012
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0079 0.0079
Mycobacterium tuberculosis Conserved protein 0.003 0.0409 0.0634
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0027 0.0027
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0144 0.0304
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5268 1
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0027 0.0086
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 0.0348 0.6446 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0772 0.0772
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0027 0.0051
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) 0.0348 0.6446 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0027 0.0051
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0079 0.0079
Mycobacterium tuberculosis Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2) 0.0128 0.2278 0.3535
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0144 0.0461
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1243 0.2631
Brugia malayi N-terminal motif family protein 0.0192 0.3498 0.3498
Mycobacterium ulcerans B12-dependent methionine synthase 0.0128 0.2278 0.3097
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0604 0.1279
Brugia malayi MH2 domain containing protein 0.0127 0.2262 0.2262
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 0.0348 0.6446 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.1243 0.2631
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0079 0.0253
Schistosoma mansoni hypothetical protein 0.0172 0.3114 1
Schistosoma mansoni smad1 5 8 and 0.0009 0.0012 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0079 0.0079
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0144 0.0223
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0144 0.0304
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0531 0.1009
Schistosoma mansoni ap endonuclease 0.004 0.0604 0.194
Schistosoma mansoni Smad4 0.0009 0.0012 0.0038
Echinococcus granulosus Smad4 0.0009 0.0012 0.0022
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0027 0.0051
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0027 0.0027
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0079 0.0079
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0012 0.0012
Leishmania major pyruvate kinase 0.0034 0.0484 0.1026
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0144 0.0144
Schistosoma mansoni pyruvate kinase 0.0034 0.0484 0.1555
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0079 0.0079
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0079 0.0253
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0027 0.0027
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0079 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0079 0.0079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0079 0.0079
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0531 0.1009
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0604 0.0937
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0292 0.2347
Echinococcus granulosus pyruvate kinase 0.0017 0.0174 0.0331
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0604 1
Schistosoma mansoni hypothetical protein 0.0172 0.3114 1
Onchocerca volvulus 0.0058 0.0953 0.0953
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0079 0.015
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0604 0.1279
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0079 0.015
Echinococcus multilocularis pyruvate kinase 0.0034 0.0484 0.092
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0484 0.0484
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0604 0.0604
Echinococcus multilocularis pyruvate kinase 0.0017 0.0174 0.0331
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0079 0.0253
Echinococcus multilocularis pyruvate kinase 0.0017 0.0174 0.0331
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0079 0.0079
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0079 0.0079
Schistosoma mansoni dep domain containing protein 0.0009 0.0027 0.0086
Loa Loa (eye worm) hypothetical protein 0.0036 0.0531 0.0531
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0531 0.1707
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.004 0.004
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0604 0.0937
Onchocerca volvulus 0.0012 0.0079 0.0079
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0484 0.0751
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0409 0.0865
Onchocerca volvulus 0.0286 0.5277 0.5277
Brugia malayi MH1 domain containing protein 0.0009 0.0012 0.0012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0079 0.0253
Giardia lamblia Pyruvate kinase 0.0017 0.0174 0.2885
Plasmodium falciparum pyruvate kinase 0.0034 0.0484 0.0751
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0604 0.1147
Brugia malayi Cytochrome P450 family protein 0.0025 0.0325 0.0325
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0079 0.0079
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0012 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0531 0.1707
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.2262 0.2262
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0174 0.027
Brugia malayi Pre-SET motif family protein 0.0036 0.0531 0.0531
Mycobacterium ulcerans pyruvate kinase 0.0034 0.0484 0.0125
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0604 0.0604
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.1243 0.2631
Brugia malayi MH2 domain containing protein 0.0009 0.0012 0.0012
Schistosoma mansoni smad1 5 8 and 0.0009 0.0012 0.0038
Trypanosoma cruzi pyruvate kinase 2, putative 0.0034 0.0484 0.1026
Echinococcus multilocularis pyruvate kinase 0.0026 0.035 0.0665
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0012 0.0012
Mycobacterium ulcerans dihydropteroate synthase 2 FolP2 0.0128 0.2278 0.3097
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0079 0.0253
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0079 0.0079
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0953 0.0953
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0604 0.1147
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase 0.0348 0.6446 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0079 0.015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Leishmania major hypothetical protein, conserved 0.0257 0.4724 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0079 0.015
Schistosoma mansoni hypothetical protein 0.0058 0.0953 0.3059
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0079 0.0079
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0655 0.1243
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0079 0.0079
Trypanosoma brucei pyruvate kinase 1, putative 0.0034 0.0484 0.1026
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0409 0.0865
Loa Loa (eye worm) hypothetical protein 0.0009 0.0027 0.0027
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0079 0.0079
Echinococcus multilocularis Smad4 0.0009 0.0012 0.0022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0144 0.0304
Onchocerca volvulus 0.0535 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0144 0.0304
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0027 0.0086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4618 0.4618
Brugia malayi MH1 domain containing protein 0.0009 0.0012 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0079 0.015
Loa Loa (eye worm) hypothetical protein 0.0009 0.0027 0.0027
Brugia malayi nuclear hormone receptor 0.0012 0.0079 0.0079
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0192 0.3498 0.3498
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.1243 0.2359
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0604 0.1145
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.1243 0.1243
Brugia malayi hypothetical protein 0.0009 0.0027 0.0027
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0079 0.015
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0604 0.1145
Echinococcus granulosus smad 0.0009 0.0012 0.0022
Schistosoma mansoni coup transcription factor 0.0012 0.0079 0.0253
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0484 0.0484
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0604 0.1279
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0484 0.0484
Leishmania major pyruvate kinase 0.0034 0.0484 0.1026
Schistosoma mansoni dishevelled 0.0009 0.0027 0.0086
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0144 0.0223
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0604 0.4861
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0079 0.0079
Toxoplasma gondii exonuclease III APE 0.004 0.0604 0.0937
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0409 0.0775
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Echinococcus granulosus pyruvate kinase 0.0034 0.0484 0.092
Schistosoma mansoni smad 0.0009 0.0012 0.0038
Brugia malayi DIX domain containing protein 0.0009 0.0027 0.0027
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0079 0.015
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0027 0.0027
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0079 0.015
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0144 0.0272
Loa Loa (eye worm) Smad1 0.0009 0.0012 0.0012
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0174 0.027
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0484 0.0751
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0604 0.1279
Brugia malayi isocitrate dehydrogenase 0.0016 0.0144 0.0144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0772 0.248
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0027 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0531 0.1707
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0772 0.1466
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0484 0.0484
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 0.0348 0.6446 1
Brugia malayi steroid hormone receptor 0.0012 0.0079 0.0079
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0409 0.0865
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4724 1
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.4724 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0027 0.0051
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0409 0.0634
Schistosoma mansoni lozenge 0.0067 0.1121 0.3599
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0079 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0079 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0079 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0079 0.015
Loa Loa (eye worm) hypothetical protein 0.0192 0.3498 0.3498
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0144 0.0272
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0144 0.0223
Loa Loa (eye worm) runx1 0.0067 0.1121 0.1121
Brugia malayi nuclear receptor NHR-88 0.0012 0.0079 0.0079
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0531 0.1009
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0012 0.0022
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0079 0.015
Trypanosoma brucei pyruvate kinase 1 0.0034 0.0484 0.1026
Loa Loa (eye worm) hypothetical protein 0.0286 0.5268 0.5268
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0079 0.0253
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.1243 0.2359
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0144 0.0272
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0027 0.0051
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0484 0.0918
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.2262 0.2262
Trichomonas vaginalis pyruvate kinase, putative 0.0034 0.0484 0.0918
Echinococcus multilocularis pyruvate kinase 0.0034 0.0484 0.092
Echinococcus granulosus pyruvate kinase 0.0017 0.0174 0.0331
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0144 0.0272
Brugia malayi hypothetical protein 0.0009 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Schistosoma mansoni pyruvate kinase 0.0034 0.0484 0.1555
Schistosoma mansoni pyruvate kinase 0.0017 0.0174 0.056
Brugia malayi ecdysteroid receptor 0.0012 0.0079 0.0079
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0012 0.0038
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0409 0.0776
Brugia malayi hypothetical protein 0.0286 0.5268 0.5268
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0027 0.0051
Echinococcus multilocularis smad 0.0009 0.0012 0.0022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0772 0.248
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0027 0.0051
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0079 0.015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0079 0.0079
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0079 0.015
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0079 0.0253
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0484 0.0484
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0027 0.0027
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5277 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0079 0.0253
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0079 0.0079
Schistosoma mansoni smad1 5 8 and 0.0009 0.0012 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0772 0.248
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0484 0.0751
Leishmania major methionine synthase, putative 0.0128 0.2278 0.4824
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0531 0.0824
Echinococcus granulosus geminin 0.0172 0.3114 0.5912
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0531 0.1707
Brugia malayi Smad1 0.0009 0.0012 0.0012
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5268 1
Echinococcus multilocularis Protein lozenge 0.0067 0.1121 0.2128
Echinococcus granulosus pyruvate kinase 0.0034 0.0484 0.092
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0144 0.0272
Echinococcus multilocularis geminin 0.0172 0.3114 0.5912
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0079 0.0079
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0484 0.0484
Schistosoma mansoni survival motor neuron protein 0.0058 0.0953 0.3059
Schistosoma mansoni ap endonuclease 0.004 0.0604 0.194
Onchocerca volvulus 0.0009 0.0027 0.0027
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0144 0.0223
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0409 0.0776
Giardia lamblia Pyruvate kinase 0.0034 0.0484 0.802
Toxoplasma gondii hypothetical protein 0.0009 0.0027 0.0042
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0604 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0079 0.015
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0027 0.0086
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0144 0.0144
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0144 0.0272
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0144 0.0223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0079 0.015
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0604 0.0323
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 0.0292
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0079 0.015
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0604 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0079 0.0079
Echinococcus granulosus pyruvate kinase 0.0017 0.0174 0.0331
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0079 0.0253
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0079 0.015
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.1243 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0027 0.0051
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0506 0.0961
Plasmodium vivax SET domain protein, putative 0.0036 0.0531 0.0824
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0079 0.0079
Echinococcus multilocularis pyruvate kinase 0.0017 0.0174 0.0331

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4716 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) 2.6169 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) 5.6234 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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