Detailed information for compound 1931355

Basic information

Technical information
  • TDR Targets ID: 1931355
  • Name: S-[2-[[4-[(2S)-2-amino-3-hydroxypropyl]phenox y]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl ]oxyethyl] 2,2-dimethylpropanethioate
  • MW: 640.646 | Formula: C26H37N6O9PS
  • H donors: 3 H acceptors: 5 LogP: 2.38 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](Cc1ccc(cc1)OP(=O)(OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)OCCSC(=O)C(C)(C)C)N
  • InChi: 1S/C26H37N6O9PS/c1-16-13-32(25(36)29-23(16)34)22-12-20(30-31-28)21(40-22)15-39-42(37,38-9-10-43-24(35)26(2,3)4)41-19-7-5-17(6-8-19)11-18(27)14-33/h5-8,13,18,20-22,33H,9-12,14-15,27H2,1-4H3,(H,29,34,36)/t18-,20-,21+,22+,42?/m0/s1
  • InChiKey: QMGAAPFPYIOFRN-YNGVEKKESA-N  

Network

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Synonyms

  • S-[2-[[4-[(2S)-2-amino-3-hydroxy-propyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
  • 2,2-dimethylpropanethioic acid S-[2-[[4-[(2S)-2-amino-3-hydroxypropyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methoxy]phosphoryl]oxyethyl] ester
  • 2,2-dimethylpropanethioic acid S-[2-[[4-[(2S)-2-amino-3-hydroxy-propyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxyethyl] ester
  • S-[2-[[4-[(2S)-2-amino-3-hydroxy-propyl]phenoxy]-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
  • AIDS-166332
  • AIDS166332
  • O-[2-Amino(chlorydate)-4-(4-hydroxyphenyl)propanol]-yl-O-(S-pivaloyl-2-thioethyl)-3'-azido-3'-deoxythymidin-5'-yl phosphate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0219 0.2724 0.2714
Schistosoma mansoni cpg binding protein 0.0033 0.0332 0.0332
Plasmodium falciparum glutathione reductase 0.0219 0.2724 0.7271
Loa Loa (eye worm) hypothetical protein 0.0036 0.038 0.1015
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0058 0.0659 0.0706
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0195 0.0519
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0734 0.9329 1
Schistosoma mansoni sulfide quinone reductase 0.0058 0.0659 0.0659
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0019 0.0051
Echinococcus granulosus glutamate synthase 0.0058 0.0659 0.0645
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0058 0.0659 0.1148
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Echinococcus multilocularis dnaJ subfamily B 0.0466 0.5892 0.5886
Giardia lamblia DINP protein human, muc B family 0.0022 0.0195 0.0714
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0708 0.1889
Plasmodium vivax ferrodoxin reductase, putative 0.0058 0.0659 0.1758
Echinococcus multilocularis lamin 0.0031 0.0307 0.0293
Leishmania major trypanothione reductase 0.0299 0.3746 0.4016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0015 0.0039
Chlamydia trachomatis endonuclease IV 0.0087 0.1033 0.1811
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0019 0.0005
Schistosoma mansoni glutamate synthase 0.0058 0.0659 0.0659
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0015 0.0015
Mycobacterium ulcerans glutamate synthase subunit beta 0.0058 0.0659 0.2418
Trichomonas vaginalis glutamate synthase, putative 0.0058 0.0659 0.2397
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0023 0.0207 0.0553
Echinococcus multilocularis dna polymerase eta 0.0022 0.0195 0.018
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0452 0.5554
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0058 0.0659 0.0706
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0337 0.4237 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0069 0.0054
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0452 0.0438
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0115
Echinococcus granulosus survival motor neuron protein 1 0.0269 0.3369 0.3359
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0058 0.0659 0.1121
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0058 0.0659 0.1148
Schistosoma mansoni cpg binding protein 0.0035 0.0356 0.0356
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0017 0.0017
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0545 0.6904 0.74
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0058 0.0659 0.1758
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0195 0.0195
Entamoeba histolytica thioredoxin reductase, putative 0.0058 0.0659 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0195 0.0688
Plasmodium vivax thioredoxin reductase, putative 0.0299 0.3746 1
Leishmania major DNA polymerase eta, putative 0.0022 0.0195 0.0209
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0015 0.0039
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0103 0.0088
Schistosoma mansoni microtubule-associated protein tau 0.0786 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0015 0.0039
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0452 0.0438
Mycobacterium ulcerans NADH dehydrogenase 0.0058 0.0659 0.2418
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0015 0.0015
Echinococcus multilocularis neuropeptide s receptor 0.0527 0.6672 0.6667
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0219 0.2724 1
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0058 0.0659 0.0909
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0058 0.0659 0.1758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0015 0.0039
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0195 0.0714
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0058 0.0659 0.2397
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0621 0.7876 0.8442
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0058 0.0659 0.1758
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0337 0.4237 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0019 0.0005
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0058 0.0659 0.0645
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0195 0.0519
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0219 0.2724 0.2714
Schistosoma mansoni inositol monophosphatase 0.0042 0.0452 0.0452
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0015 0.0039
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0058 0.0659 0.0706
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0219 0.2724 0.2724
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0015 0.0015
Brugia malayi steroid hormone receptor 0.0008 0.0015 0.0039
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0124 0.033
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0219 0.2724 0.7271
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0058 0.0659 0.1758
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0069 0.0069
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0042 0.0028
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0042 0.0028
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0734 0.9329 1
Brugia malayi ecdysteroid receptor 0.0008 0.0015 0.0039
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0069 0.0054
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0332 0.0887
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0023 0.0207 0.076
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0058 0.0659 0.0645
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0219 0.2724 0.292
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0545 0.6904 0.74
Leishmania major NADH dehydrogenase, putative 0.0058 0.0659 0.0706
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0058 0.0659 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0207 0.0031
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0195 0.018
Brugia malayi intermediate filament protein 0.0031 0.0307 0.0819
Giardia lamblia Glutamate synthase 0.0058 0.0659 0.2418
Trypanosoma brucei unspecified product 0.0015 0.0107 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0015 0.0039
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0058 0.0659 0.0909
Schistosoma mansoni lamin 0.0031 0.0307 0.0307
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0452 0.0438
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0452 0.1637
Mycobacterium ulcerans endonuclease IV 0.0087 0.1033 0.3792
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0255
Echinococcus multilocularis geminin 0.0193 0.2389 0.2378
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0015 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0015 0.0039
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0058 0.0659 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0095 0.0255
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0015 0.0015
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0019 0.0005
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0058 0.0659 0.0706
Schistosoma mansoni hypothetical protein 0.0193 0.2389 0.2389
Mycobacterium ulcerans dehydrogenase 0.0058 0.0659 0.2418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0015 0.0039
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0058 0.0659 0.0645
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0019 0.0005
Loa Loa (eye worm) hypothetical protein 0.0023 0.0207 0.0553
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0058 0.0659 0.1148
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0452 0.0485
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0161 0.1978 0.5279
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0734 0.9329 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0115
Echinococcus multilocularis glutamate synthase 0.0058 0.0659 0.0645
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0176 0.2172 0.4891
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0015 0.0015
Loa Loa (eye worm) programmed cell death 8 0.0058 0.0659 0.1758
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0058 0.0659 0.1758
Schistosoma mansoni hypothetical protein 0.0193 0.2389 0.2389
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0452 0.1206
Trypanosoma cruzi NADH dehydrogenase, putative 0.0058 0.0659 0.0706
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0015 0.0039
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0501 0.0501
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0195 0.0688
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0058 0.0659 0.1148
Plasmodium falciparum glutathione reductase 0.0299 0.3746 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0219 0.2724 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0058 0.0659 0.2418
Plasmodium falciparum ferrodoxin reductase-like protein 0.0058 0.0659 0.1758
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0058 0.0659 0.1758
Echinococcus granulosus dnaJ subfamily B 0.0466 0.5892 0.5886
Toxoplasma gondii selenide, water dikinase 0.0058 0.0659 0.1758
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.0087 0.1033 0.2757
Leishmania major hypothetical protein, conserved 0.0058 0.0659 0.0706
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0019 0.0005
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0545 0.6904 0.74
Echinococcus multilocularis thioredoxin glutathione reductase 0.0299 0.3746 0.3737
Schistosoma mansoni coup transcription factor 0.0008 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0022 0.0195 0.0519
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0087 0.1033 0.2074
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0058 0.0659 0.0706
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0452 0.1207
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0219 0.2724 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0195 0.018
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0058 0.0659 0.1758
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0219 0.2724 0.292
Schistosoma mansoni survival motor neuron protein 0.0055 0.0618 0.0618
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0299 0.3746 0.8786
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0058 0.0659 0.1121
Trypanosoma brucei hypothetical protein, conserved 0.0058 0.0659 0.0706
Echinococcus granulosus intermediate filament protein 0.0031 0.0307 0.0293
Echinococcus granulosus neuropeptide s receptor 0.0527 0.6672 0.6667
Onchocerca volvulus Putative hydroxypyruvate isomerase 0.0023 0.0207 0.2989
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0195 0.0209
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0501 0.0501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0015 0.0039
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0019 0.0043
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0019 0.0043
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0019 0.0019
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0058 0.0659 0.1758
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0219 0.2724 1
Plasmodium falciparum thioredoxin reductase 0.0219 0.2724 0.7271
Echinococcus multilocularis neuropeptide receptor A26 0.0527 0.6672 0.6667
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0176 0.2172 0.4891
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0015 0.0039
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0416 0.1504
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0195 0.0195
Brugia malayi glutathione reductase 0.0299 0.3746 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0396 0.0498
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0618 0.1648
Schistosoma mansoni glutamate synthase 0.0058 0.0659 0.0659
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0058 0.0659 0.0706
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0058 0.0659 0.0645
Schistosoma mansoni hypothetical protein 0.0466 0.5892 0.5892
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0058 0.0659 0.0909
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0058 0.0659 0.0645
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0307 0.0819
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0219 0.2724 0.7271
Loa Loa (eye worm) hypothetical protein 0.0269 0.3369 0.8993
Onchocerca volvulus 0.0033 0.0332 0.4932
Onchocerca volvulus 0.0031 0.0307 0.4534
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0058 0.0659 0.0706
Echinococcus granulosus cpg binding protein 0.0035 0.0356 0.0342
Treponema pallidum NADH oxidase 0.0219 0.2724 1
Trypanosoma brucei trypanothione reductase 0.0299 0.3746 0.4016
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0058 0.0659 0.0706
Onchocerca volvulus 0.0031 0.0307 0.4534
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0058 0.0659 1
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0058 0.0659 0.0645
Loa Loa (eye worm) hypothetical protein 0.0087 0.1033 0.2757
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0659 0.0706
Trypanosoma brucei unspecified product 0.0022 0.0195 0.0209
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0058 0.0659 0.2397
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0734 0.9329 1
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0058 0.0659 0.0706
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0219 0.2724 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0058 0.0659 0.0645
Echinococcus multilocularis musashi 0.0031 0.0307 0.0293
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0058 0.0659 0.0706
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0019 0.0005
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0452 0.1637
Brugia malayi nuclear receptor NHR-88 0.0008 0.0015 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0015 0.0039
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0452 0.1661
Brugia malayi Thioredoxin reductase 0.0299 0.3746 1
Echinococcus granulosus geminin 0.0193 0.2389 0.2378
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0307 0.0819
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0015 0.0039
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0161 0.1978 0.5279
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0058 0.0659 0.1758
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0058 0.0659 0.2397
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0307 0.0819
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0019 0.0019
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0219 0.2724 0.6257
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0195 0.0209
Trypanosoma cruzi trypanothione reductase, putative 0.0219 0.2724 0.292
Schistosoma mansoni inositol monophosphatase 0.0042 0.0452 0.0452
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0087 0.1033 0.2757
Loa Loa (eye worm) hypothetical protein 0.0012 0.0069 0.0183
Loa Loa (eye worm) hypothetical protein 0.0031 0.0307 0.0819
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0396 0.0468
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0416 0.1504
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0195 0.0714
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0058 0.0659 0.1758
Loa Loa (eye worm) hypothetical protein 0.0058 0.0659 0.1758
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0803 0.0803
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0019 0.0005
Trypanosoma brucei NADH dehydrogenase 0.0058 0.0659 0.0706
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Mycobacterium tuberculosis Probable reductase 0.0176 0.2172 0.4891
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0195 0.0209
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0015 0.0015
Echinococcus granulosus lamin 0.0031 0.0307 0.0293
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0058 0.0659 0.2397
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0621 0.7876 0.8442
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0452 0.1637
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0058 0.0659 0.1758
Echinococcus multilocularis cpg binding protein 0.0035 0.0356 0.0342
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0087 0.1033 0.2049
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0015 0.0015
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0219 0.2724 0.292
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Leishmania major DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0015 0.0039
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0019 0.0019
Mycobacterium ulcerans hypothetical protein 0.0023 0.0207 0.076
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0015 0.0039
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0069 0.0069
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0058 0.0659 0.1148
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0058 0.0659 0.2418
Toxoplasma gondii NADPH-glutathione reductase 0.0219 0.2724 0.7271
Schistosoma mansoni sulfide quinone reductase 0.0058 0.0659 0.0659
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0069 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0015 0.0039
Echinococcus granulosus dna polymerase eta 0.0022 0.0195 0.018
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.0659 0.0706
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0195 0.018
Mycobacterium ulcerans hypothetical protein 0.0058 0.0659 0.2418
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0219 0.2724 0.7271
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0058 0.0659 0.2418
Echinococcus multilocularis microtubule associated protein 2 0.0786 1 1
Schistosoma mansoni disulfide oxidoreductase 0.0058 0.0659 0.0659
Trichomonas vaginalis mercuric reductase, putative 0.0219 0.2724 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0015 0.0015
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Leishmania major hypothetical protein, conserved 0.0058 0.0659 0.0706
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0219 0.2724 1
Echinococcus granulosus lamin dm0 0.0031 0.0307 0.0293
Mycobacterium ulcerans ferredoxin reductase 0.0058 0.0659 0.2418
Loa Loa (eye worm) glutathione reductase 0.0299 0.3746 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0337 0.4237 1
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0124 0.033
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0015 0.0015
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0195 0.0209
Loa Loa (eye worm) hypothetical protein 0.0008 0.0015 0.0039
Schistosoma mansoni lamin 0.0031 0.0307 0.0307
Echinococcus multilocularis survival motor neuron protein 1 0.0269 0.3369 0.3359
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0015 0.0015
Trypanosoma cruzi NADH dehydrogenase, putative 0.0058 0.0659 0.0706
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0107 0.0115
Entamoeba histolytica disulphide oxidoreductase, putative 0.0058 0.0659 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0019 0.0019
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0058 0.0659 0.0645
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0058 0.0659 0.0645
Echinococcus granulosus neuropeptide receptor A26 0.0527 0.6672 0.6667
Echinococcus granulosus thioredoxin glutathione reductase 0.0299 0.3746 0.3737
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0041 0.0109
Mycobacterium ulcerans monoxygenase 0.0058 0.0659 0.2418
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0621 0.7876 0.8442
Toxoplasma gondii endonuclease IV APN 0.0087 0.1033 0.2757
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0017 0.0002
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0176 0.2172 0.4891
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0452 0.0485
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0015 0.0039
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0058 0.0659 0.1758
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0015 0.0039
Leishmania major hypothetical protein, conserved 0.0058 0.0659 0.0706
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0015 0.0039
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0452 0.0485
Schistosoma mansoni intermediate filament proteins 0.0031 0.0307 0.0307
Brugia malayi hypothetical protein 0.0269 0.3369 0.8993
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0058 0.0659 0.2418
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0103 0.0088
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0069 0.0183
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0017 0.0002
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0176 0.2172 0.4875
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0058 0.0659 0.0706
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0058 0.0659 1
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0019 0.0005
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0058 0.0659 0.0645
Schistosoma mansoni DNA polymerase eta 0.0022 0.0195 0.0195
Loa Loa (eye worm) hypothetical protein 0.003 0.0299 0.0799
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0017 0.0002
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0058 0.0659 0.2418
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0452 0.0485
Trichomonas vaginalis glutathione reductase, putative 0.0219 0.2724 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0195 0.0519
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0019 0.0005
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0019 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0015 0.0039
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0019 0.0005
Echinococcus multilocularis lamin dm0 0.0031 0.0307 0.0293
Schistosoma mansoni hypothetical protein 0.0058 0.0659 0.0659
Brugia malayi CXXC zinc finger family protein 0.0033 0.0332 0.0887
Brugia malayi glutamate synthase 0.0058 0.0659 0.1758
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0019 0.0019
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0545 0.6904 0.74
Loa Loa (eye worm) hypothetical protein 0.0015 0.0103 0.0274
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0058 0.0659 0.1758
Plasmodium vivax glutathione reductase, putative 0.0299 0.3746 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0019 0.0051
Schistosoma mansoni glutamate synthase 0.0058 0.0659 0.0659
Loa Loa (eye worm) hypothetical protein 0.0008 0.0019 0.0051
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0452 0.0438
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0019 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0219 0.2724 0.292
Trypanosoma brucei unspecified product 0.0015 0.0107 0.0115
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0058 0.0659 0.2418
Brugia malayi Inositol-1 0.0042 0.0452 0.1207
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0058 0.0659 0.2397
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0219 0.2724 0.7271
Loa Loa (eye worm) thioredoxin reductase 0.0299 0.3746 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0219 0.2724 0.7271
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0058 0.0659 0.1148
Mycobacterium ulcerans epimerase 0.0023 0.0207 0.076
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0058 0.0659 0.0645
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0058 0.0659 0.2418
Toxoplasma gondii thioredoxin reductase 0.0299 0.3746 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0219 0.2724 0.7271
Onchocerca volvulus 0.0058 0.0659 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0015 0.0039
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0176 0.2172 0.4891
Trypanosoma cruzi trypanothione reductase, putative 0.0299 0.3746 0.4016
Trichomonas vaginalis apoptosis inducing factor, putative 0.0058 0.0659 0.2397
Brugia malayi nuclear hormone receptor 0.0008 0.0015 0.0039
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0195 0.018
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0058 0.0659 0.1121
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0015 0.0039
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0058 0.0659 0.1121
Schistosoma mansoni cpg binding protein 0.0035 0.0356 0.0356
Schistosoma mansoni hypothetical protein 0.0055 0.0618 0.0618
Trichomonas vaginalis glutamate synthase, putative 0.0058 0.0659 0.2397
Onchocerca volvulus 0.0055 0.0618 0.936
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0337 0.4237 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Giardia lamblia Thioredoxin reductase 0.0058 0.0659 0.2418
Mycobacterium tuberculosis Probable dehydrogenase 0.0176 0.2172 0.4891
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0195 0.0209
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0452 0.1206
Loa Loa (eye worm) histone methyltransferase 0.001 0.0042 0.0113
Plasmodium falciparum thioredoxin reductase 0.0299 0.3746 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0219 0.2724 1
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0087 0.1033 0.2757
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0017 0.0002
Loa Loa (eye worm) inositol-1 0.0042 0.0452 0.1207
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0015 0.0039
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0069 0.0054
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0195 0.0209
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0058 0.0659 0.0645
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0195 0.0209
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0015 0.0015
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0058 0.0659 1
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0058 0.0659 0.2418
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0019 0.0019
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0621 0.7876 0.8442

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Cytotoxic concentration required to reduce the viability of HIV-1 by 50% in CEM-SS cells ChEMBL. 12593658
CC50 (functional) > 100 uM Cytotoxic concentration required to reduce the viability of HIV-1 by 50% MT-4 cells ChEMBL. 12593658
CC50 (functional) > 100 uM Cytotoxic concentration required to reduce the viability of HIV-1 by 50% in CEM/TK cells ChEMBL. 12593658
EC50 (functional) = 0.007 uM Effective concentration required to inhibit the replication of HIV-1 by 50% in CEM-SS cells ChEMBL. 12593658
EC50 (functional) = 0.018 uM Effective concentration required to inhibit the replication of HIV-1 by 50% in MT-4 cells ChEMBL. 12593658
EC50 (functional) = 7 uM Effective concentration required to inhibit the replication of HIV-1 by 50% in CEM/TK cells ChEMBL. 12593658

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12593658

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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