Detailed information for compound 1233464

Basic information

Technical information
  • TDR Targets ID: 1233464
  • Name: 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin -3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propana mide
  • MW: 434.534 | Formula: C24H30N6O2
  • H donors: 1 H acceptors: 4 LogP: 3.3 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CCc1c(C)nn(c1C)c1ccc(nn1)N1CCCC1
  • InChi: 1S/C24H30N6O2/c1-4-32-20-9-7-19(8-10-20)25-24(31)14-11-21-17(2)28-30(18(21)3)23-13-12-22(26-27-23)29-15-5-6-16-29/h7-10,12-13H,4-6,11,14-16H2,1-3H3,(H,25,31)
  • InChiKey: CNRCKQPXPZEHQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3,5-dimethyl-1-(6-1-pyrrolidinyl-3-pyridazinyl)-4-pyrazolyl]-N-(4-ethoxyphenyl)propanamide
  • 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propionamide
  • G267-0727
  • NCGC00129917-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Schistosoma mansoni cpg binding protein 0.0031 0.0328 0.0328
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0077 0.0877 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.2083 0.2489
Leishmania major hypothetical protein, conserved 0.002 0.0195 0.0613
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0037 0.0037
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0007 0.0036 0.0036
Trichomonas vaginalis hypothetical protein 0.0012 0.0097 0.0298
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Echinococcus granulosus importin 5 0.0012 0.0097 0.0097
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0105 0.1213 0.1972
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0168 0.0609
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0195 0.07
Mycobacterium tuberculosis Probable reductase 0.0507 0.6064 0.8983
Echinococcus multilocularis transportin 1 0.0012 0.0097 0.0097
Trichomonas vaginalis apoptosis inducing factor, putative 0.002 0.0195 0.0726
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0361 0.0485
Brugia malayi intermediate filament protein 0.0059 0.0655 0.1066
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.041 0.041
Brugia malayi Smad1 0.001 0.0064 0.0105
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.1655 0.1977
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0007 0.0036 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.002 0.0195 0.07
Brugia malayi CXXC zinc finger family protein 0.003 0.0307 0.0499
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0007 0.0036 0.0036
Giardia lamblia Glutamate synthase 0.002 0.0195 0.07
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0195 0.0613
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0057 0.0631 0.1025
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.002 0.0195 0.1057
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.0007 0.0036 0.0036
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0195 0.0613
Echinococcus granulosus thioredoxin glutathione reductase 0.0224 0.2649 0.2649
Echinococcus granulosus Smad4 0.001 0.0064 0.0064
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.002 0.0195 0.0317
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0168 0.1575
Brugia malayi MH1 domain containing protein 0.001 0.0064 0.0105
Schistosoma mansoni ap endonuclease 0.0018 0.0168 0.0168
Echinococcus granulosus sulfide:quinone oxidoreductase 0.002 0.0195 0.0195
Plasmodium vivax ferrodoxin reductase, putative 0.002 0.0195 0.0385
Brugia malayi aldehyde dehydrogenase 0.0007 0.0036 0.0058
Schistosoma mansoni glutamate synthase 0.002 0.0195 0.0195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.154 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0196 0.2307 0.2307
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.0007 0.0036 0.0036
Brugia malayi Intermediate filament tail domain containing protein 0.0059 0.0655 0.1066
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.041 0.1443
Loa Loa (eye worm) hypothetical protein 0.0514 0.6149 0.7345
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0195 0.0613
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0077 0.0877 0.5593
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0507 0.6064 0.8983
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0564 0.6747 1
Mycobacterium ulcerans monoxygenase 0.002 0.0195 0.1057
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.002 0.0195 0.0237
Onchocerca volvulus Aldehyde dehydrogenase homolog 0.0007 0.0036 0.0155
Brugia malayi MH2 domain containing protein 0.001 0.0064 0.0105
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0195 0.0613
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.002 0.0195 0.189
Leishmania major hypothetical protein, conserved 0.0012 0.0097 0.0238
Loa Loa (eye worm) importin-beta domain-containing protein 0.0012 0.0097 0.0116
Giardia lamblia Kinase, PLK 0.0196 0.2307 1
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.154 0.154
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0195 0.0613
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.154 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0077 0.0877 0.3245
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.002 0.0195 0.0195
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.041 0.041
Echinococcus multilocularis musashi 0.0059 0.0655 0.0655
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0007 0.0036 0.0058
Loa Loa (eye worm) hypothetical protein 0.0005 0.0012 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0494 0.0494
Treponema pallidum thioredoxin reductase (trxB) 0.002 0.0195 0.189
Entamoeba histolytica glutamate synthase beta subunit, putative 0.002 0.0195 0.07
Brugia malayi Inositol-1 0.0038 0.041 0.0667
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.002 0.0195 0.0237
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0628 0.2285
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0057 0.0631 0.1025
Mycobacterium tuberculosis Probable oxidoreductase 0.0564 0.6747 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0168 0.028
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0077 0.0877 0.1254
Echinococcus granulosus translational activator gcn1 0.0012 0.0097 0.0097
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0077 0.0877 0.0877
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.0007 0.0036 0.0027
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0195 0.1057
Echinococcus granulosus betaine aldehyde dehydrogenase 0.0007 0.0036 0.0036
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.002 0.0195 0.1057
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0077 0.0877 0.3245
Loa Loa (eye worm) hypothetical protein 0.0027 0.0276 0.033
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0077 0.0877 0.3245
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Echinococcus granulosus lamin dm0 0.0059 0.0655 0.0655
Toxoplasma gondii NADPH-glutathione reductase 0.0077 0.0877 0.3245
Schistosoma mansoni smad1 5 8 and 0.001 0.0064 0.0064
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0307 0.0367
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0077 0.0877 0.308
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0043
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0529 0.1901
Brugia malayi RNA, U transporter 1 0.0186 0.2192 0.3564
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0196 0.2307 0.2307
Onchocerca volvulus 0.0105 0.1213 0.5256
Mycobacterium ulcerans NADH dehydrogenase 0.002 0.0195 0.1057
Plasmodium falciparum importin beta, putative 0.0065 0.0737 0.2527
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0043
Onchocerca volvulus Serine\/threonine kinase homolog 0.0196 0.2307 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0289 0.0289
Mycobacterium ulcerans glutamate synthase subunit beta 0.002 0.0195 0.1057
Schistosoma mansoni aldehyde dehydrogenase 0.0007 0.0036 0.0036
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0168 0.0584
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0077 0.0877 0.5593
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0195 0.0613
Loa Loa (eye worm) intermediate filament protein 0.0059 0.0655 0.0783
Toxoplasma gondii exonuclease III APE 0.0018 0.0168 0.0511
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0168 0.0201
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0195 0.0317
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0007 0.0036 0.0036
Leishmania major trypanothione reductase 0.0222 0.2629 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.041 0.4447
Trypanosoma brucei trypanothione reductase 0.0222 0.2629 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.041 0.041
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.041 0.1647
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0168 0.0274
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.002 0.0195 0.0385
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.002 0.0195 0.0237
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0048 0.0529 0.0529
Echinococcus multilocularis glutamate synthase 0.002 0.0195 0.0195
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0168 0.0609
Schistosoma mansoni importin beta-1 0.0065 0.0737 0.0737
Echinococcus multilocularis lamin 0.0059 0.0655 0.0655
Loa Loa (eye worm) hypothetical protein 0.0177 0.2083 0.2489
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.002 0.0195 0.0237
Loa Loa (eye worm) hypothetical protein 0.0028 0.0289 0.0346
Brugia malayi MH1 domain containing protein 0.0005 0.0012 0.002
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0064 0.0064
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0168 0.0168
Entamoeba histolytica thioredoxin reductase, putative 0.002 0.0195 0.07
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0361 0.0485
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Brugia malayi hypothetical protein 0.0514 0.6149 1
Trichomonas vaginalis importin beta-1, putative 0.0053 0.0588 0.2451
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.041 0.1443
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0507 0.6064 0.8983
Echinococcus multilocularis snurportin 1 0.0698 0.8371 0.8371
Toxoplasma gondii aldehyde dehydrogenase 0.0132 0.154 0.5801
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.002 0.0195 0.0233
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0195 0.0195
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0053 0.0588 0.2451
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0037 0.0037
Echinococcus multilocularis translational activator gcn1 0.0012 0.0097 0.0097
Trypanosoma brucei polo-like protein kinase 0.0196 0.2307 0.8758
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0077 0.0877 0.3245
Leishmania major GTP-binding protein, putative 0.0048 0.0529 0.1901
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.002 0.0195 0.1057
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0507 0.6064 0.8983
Mycobacterium ulcerans dehydrogenase 0.002 0.0195 0.1057
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.2307 0.8758
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0007 0.0036 0.0058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0168 0.0511
Schistosoma mansoni ap endonuclease 0.0018 0.0168 0.0168
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.002 0.0195 0.0385
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.002 0.0195 0.0385
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.002 0.0195 0.0726
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0077 0.0877 0.1427
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0132 0.154 0.2242
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.002 0.0195 0.07
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0168 0.028
Echinococcus granulosus muscleblind protein 0.0177 0.2083 0.2083
Schistosoma mansoni cpg binding protein 0.0031 0.0328 0.0328
Brugia malayi MH1 domain containing protein 0.0005 0.0012 0.002
Plasmodium falciparum ferrodoxin reductase-like protein 0.002 0.0195 0.0385
Schistosoma mansoni smad1 5 8 and 0.001 0.0064 0.0064
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0737 0.2704
Echinococcus granulosus intermediate filament protein 0.0059 0.0655 0.0655
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0059 0.0655 0.0783
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0077 0.0877 0.308
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.041 0.167
Schistosoma mansoni smad 0.001 0.0064 0.0064
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0195 0.0726
Trypanosoma brucei ULK family serine/threonine-protein kinase, putative 0.0013 0.0105 0.0267
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.002 0.0195 0.0237
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0195 0.0195
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.002 0.0195 0.0613
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0494 0.0494
Schistosoma mansoni serine/threonine protein kinase 0.0196 0.2307 0.2307
Leishmania major importin beta-1 subunit, putative 0.0053 0.0588 0.2129
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0195 0.0613
Plasmodium vivax glutathione reductase, putative 0.0222 0.2629 1
Trypanosoma brucei Importin-beta N-terminal domain/HEAT-like repeat, putative 0.0012 0.0097 0.0238
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0168 0.0198
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0195 0.0613
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.002 0.0195 0.0613
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0077 0.0877 0.0877
Brugia malayi MH1 domain containing protein 0.001 0.0064 0.0105
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0007 0.0036 0.0036
Schistosoma mansoni glutamate synthase 0.002 0.0195 0.0195
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0077 0.0877 0.308
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.002 0.0195 0.0613
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.002 0.0195 0.0613
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0048 0.0529 0.1704
Schistosoma mansoni lamin 0.0059 0.0655 0.0655
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Echinococcus granulosus cpg binding protein 0.0031 0.0328 0.0328
Echinococcus granulosus glutamate synthase 0.002 0.0195 0.0195
Loa Loa (eye worm) Smad1 0.001 0.0064 0.0077
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0007 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0698 0.8371 0.8371
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0507 0.6064 0.8983
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0196 0.2307 0.8758
Leishmania major NADH dehydrogenase, putative 0.002 0.0195 0.0613
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.002 0.0195 0.1057
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0037 0.0037
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0529 0.1901
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0327 0.0532
Echinococcus granulosus smad 0.001 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0059 0.0655 0.0783
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0494 0.0494
Giardia lamblia NADH oxidase lateral transfer candidate 0.0077 0.0877 0.3705
Echinococcus granulosus survival motor neuron protein 1 0.0514 0.6149 0.6149
Toxoplasma gondii HEAT repeat-containing protein 0.0012 0.0097 0.0238
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0195 0.0726
Echinococcus multilocularis importin 5 0.0012 0.0097 0.0097
Echinococcus granulosus lamin 0.0059 0.0655 0.0655
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0327 0.039
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0168 0.0511
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.002 0.0195 0.0237
Loa Loa (eye worm) kap beta 3 protein 0.0012 0.0097 0.0116
Trypanosoma cruzi polo-like protein kinase, putative 0.0196 0.2307 0.8758
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0289 0.0289
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0168 0.0584
Brugia malayi glutathione reductase 0.0222 0.2629 0.4276
Trypanosoma cruzi NADH dehydrogenase, putative 0.002 0.0195 0.0613
Echinococcus granulosus GTP binding nuclear protein Ran 0.0048 0.0529 0.0529
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0168 0.0511
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0564 0.6747 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0132 0.154 0.5801
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0494 0.059
Schistosoma mansoni aldehyde dehydrogenase 0.0007 0.0036 0.0036
Echinococcus multilocularis cpg binding protein 0.0031 0.0328 0.0328
Echinococcus multilocularis muscleblind protein 1 0.0177 0.2083 0.2083
Echinococcus multilocularis smad 0.001 0.0064 0.0064
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0053 0.0588 0.2451
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0058 0.0094
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.002 0.0195 0.189
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0168 0.0168
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1116 0.477
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0064 0.0064
Trichomonas vaginalis mercuric reductase, putative 0.0077 0.0877 0.3722
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.002 0.0195 0.07
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Echinococcus granulosus snurportin 1 0.0698 0.8371 0.8371
Schistosoma mansoni cpg binding protein 0.003 0.0307 0.0307
Schistosoma mansoni aldehyde dehydrogenase 0.0007 0.0036 0.0036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0037 0.0037
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.1655 0.1977
Entamoeba histolytica serine/threonine protein kinase, putative 0.0196 0.2307 1
Schistosoma mansoni Smad4 0.001 0.0064 0.0064
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.002 0.0195 0.0237
Plasmodium falciparum thioredoxin reductase 0.0077 0.0877 0.308
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0077 0.0877 0.3245
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0195 0.0613
Trypanosoma brucei NADH dehydrogenase 0.002 0.0195 0.0613
Trichomonas vaginalis glutamate synthase, putative 0.002 0.0195 0.0726
Trichomonas vaginalis CAMK family protein kinase 0.0196 0.2307 1
Brugia malayi Aldehyde dehydrogenase protein 4 0.0007 0.0036 0.0058
Leishmania major hypothetical protein, conserved 0.002 0.0195 0.0613
Brugia malayi Thioredoxin reductase 0.0222 0.2629 0.4276
Toxoplasma gondii HEAT repeat-containing protein 0.0065 0.0737 0.2704
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0064 0.0077
Schistosoma mansoni sulfide quinone reductase 0.002 0.0195 0.0195
Echinococcus granulosus transportin 1 0.0012 0.0097 0.0097
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0048 0.0529 0.1901
Echinococcus multilocularis muscleblind protein 0.0177 0.2083 0.2083
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.002 0.0195 0.0237
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.002 0.0195 0.0195
Schistosoma mansoni ran 0.0048 0.0529 0.0529
Mycobacterium ulcerans ferredoxin reductase 0.002 0.0195 0.1057
Echinococcus multilocularis Smad4 0.001 0.0064 0.0064
Schistosoma mansoni hypothetical protein 0.0105 0.1213 0.1213
Onchocerca volvulus 0.0059 0.0655 0.284
Schistosoma mansoni smad1 5 8 and 0.001 0.0064 0.0064
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0048 0.0529 0.0632
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.002 0.0195 0.0613
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.041 0.1443
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0007 0.0036 0.0043
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0077 0.0877 0.3245
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0077 0.0877 0.3245
Schistosoma mansoni hypothetical protein 0.002 0.0195 0.0195
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0007 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0058 0.0642 0.0767
Loa Loa (eye worm) aldehyde dehydrogenase 0.0007 0.0036 0.0043
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.002 0.0195 0.1057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0222 0.2629 0.3865
Trichomonas vaginalis glutathione reductase, putative 0.0077 0.0877 0.3722
Giardia lamblia Thioredoxin reductase 0.002 0.0195 0.07
Entamoeba histolytica HEAT repeat domain containing protein 0.0012 0.0097 0.0271
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0196 0.2307 0.2756
Schistosoma mansoni lamin 0.0059 0.0655 0.0655
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.002 0.0195 0.0726
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.041 0.1443
Brugia malayi serine/threonine-protein kinase plk-2 0.0196 0.2307 0.3752
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.041 0.167
Onchocerca volvulus 0.0059 0.0655 0.284
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0698 0.8371 1
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0195 0.0613
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0132 0.154 0.154
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0064 0.0064
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.002 0.0195 0.0195
Schistosoma mansoni inositol monophosphatase 0.0038 0.041 0.041
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.002 0.0195 0.07
Echinococcus multilocularis survival motor neuron protein 1 0.0514 0.6149 0.6149
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0564 0.6747 1
Plasmodium falciparum glutathione reductase 0.0222 0.2629 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.041 0.167
Mycobacterium ulcerans aldehyde dehydrogenase 0.0132 0.154 1
Entamoeba histolytica hypothetical protein 0.0053 0.0588 0.2431
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0071
Schistosoma mansoni hypothetical protein 0.0007 0.0036 0.0036
Echinococcus multilocularis thioredoxin glutathione reductase 0.0224 0.2649 0.2649
Trypanosoma cruzi importin beta-1 subunit, putative 0.0053 0.0588 0.2129
Loa Loa (eye worm) hypothetical protein 0.002 0.0195 0.0233
Onchocerca volvulus 0.002 0.0195 0.0844
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0048 0.0529 0.086
Schistosoma mansoni intermediate filament proteins 0.0059 0.0655 0.0655
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.002 0.0195 0.0195
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0007 0.0036 0.0036
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0007 0.0036 0.0043
Schistosoma mansoni sulfide quinone reductase 0.002 0.0195 0.0195
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0077 0.0877 0.3245
Treponema pallidum NADH oxidase 0.0077 0.0877 1
Plasmodium falciparum glutathione reductase 0.0077 0.0877 0.308
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0077 0.0877 0.3245
Brugia malayi Importin beta-1 subunit 0.0065 0.0737 0.1199
Plasmodium vivax thioredoxin reductase, putative 0.0222 0.2629 1
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.002 0.0195 0.0613
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0168 0.0511
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1116 0.477
Schistosoma mansoni kinase 0.0099 0.1147 0.1147
Brugia malayi Muscleblind-like protein 0.0177 0.2083 0.3388
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.002 0.0195 0.0613
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.002 0.0195 0.1057
Plasmodium vivax importin-beta 2, putative 0.0065 0.0737 0.2527
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0168 0.0881
Mycobacterium ulcerans hypothetical protein 0.002 0.0195 0.1057
Schistosoma mansoni survival motor neuron protein 0.0105 0.1213 0.1213
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.002 0.0195 0.0237
Schistosoma mansoni aldehyde dehydrogenase 0.0007 0.0036 0.0036
Trichomonas vaginalis disulfide oxidoreductase, putative 0.002 0.0195 0.0726
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0077 0.0877 0.5593
Loa Loa (eye worm) hypothetical protein 0.0027 0.0276 0.033
Plasmodium falciparum thioredoxin reductase 0.0222 0.2629 1
Echinococcus granulosus importin subunit beta 1 0.0065 0.0737 0.0737
Trypanosoma cruzi trypanothione reductase, putative 0.0222 0.2629 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0802 0.9621 0.9621
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0048 0.0529 0.2171
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0737 0.2704
Schistosoma mansoni disulfide oxidoreductase 0.002 0.0195 0.0195
Schistosoma mansoni importin-beta 2 0.0012 0.0097 0.0097
Entamoeba histolytica Ran family GTPase 0.0048 0.0529 0.2171
Schistosoma mansoni ran 0.0048 0.0529 0.0529
Schistosoma mansoni aldehyde dehydrogenase 0.0132 0.154 0.154
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0059
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0064 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0494 0.0494
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0048 0.0529 0.1901
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0494 0.0494
Leishmania major hypothetical protein, conserved 0.002 0.0195 0.0613
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.041 0.2487
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0048 0.0529 0.1704
Toxoplasma gondii thioredoxin reductase 0.0222 0.2629 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0077 0.0877 0.308
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0494 0.0494
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.002 0.0195 0.0613
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0064 0.0064
Loa Loa (eye worm) thioredoxin reductase 0.0222 0.2629 0.3141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0494 0.0494
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.002 0.0195 0.0237
Loa Loa (eye worm) programmed cell death 8 0.002 0.0195 0.0233
Entamoeba histolytica disulphide oxidoreductase, putative 0.002 0.0195 0.07
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0132 0.154 0.154
Brugia malayi MH2 domain containing protein 0.001 0.0064 0.0105
Brugia malayi kap beta 3 protein 0.0012 0.0097 0.0158
Brugia malayi MH2 domain containing protein 0.0141 0.1655 0.2691
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.002 0.0195 0.0195
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.071 0.071
Toxoplasma gondii selenide, water dikinase 0.002 0.0195 0.0613
Trichomonas vaginalis ran, putative 0.0048 0.0529 0.2192
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.002 0.0195 0.0195
Trypanosoma cruzi trypanothione reductase, putative 0.0077 0.0877 0.3245
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0168 0.1575
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.002 0.0195 0.0195
Onchocerca volvulus 0.003 0.0307 0.1331
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.002 0.0195 0.0317
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0507 0.6064 0.8983
Loa Loa (eye worm) inositol-1 0.0038 0.041 0.049
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.002 0.0195 0.0195
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0064 0.0077
Schistosoma mansoni aldehyde dehydrogenase 0.0007 0.0036 0.0036
Loa Loa (eye worm) nuclear factor I 0.0005 0.0012 0.0015
Loa Loa (eye worm) glutathione reductase 0.0222 0.2629 0.3141
Echinococcus multilocularis importin subunit beta 1 0.0065 0.0737 0.0737
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0077 0.0877 0.0877
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0077 0.0877 1
Brugia malayi glutamate synthase 0.002 0.0195 0.0317
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.002 0.0195 0.0195
Mycobacterium tuberculosis Probable dehydrogenase 0.0507 0.6064 0.8983
Toxoplasma gondii HEAT repeat-containing protein 0.0012 0.0097 0.0238
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0037 0.0037
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0077 0.0877 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.041 0.1443
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.002 0.0195 0.0613
Schistosoma mansoni glutamate synthase 0.002 0.0195 0.0195
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.002 0.0195 0.0726
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.002 0.0195 0.189
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.002 0.0195 0.0385
Echinococcus multilocularis lamin dm0 0.0059 0.0655 0.0655
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0195 0.0613
Loa Loa (eye worm) hypothetical protein 0.0065 0.0737 0.088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0494 0.0803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0077 0.0877 0.3245
Treponema pallidum oxidoreductase 0.002 0.0195 0.189

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

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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