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  


Substructure search Similarity search

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

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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