Detailed information for compound 229678

Basic information

Technical information
  • TDR Targets ID: 229678
  • Name: (2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3 ,3-dimethylbutanoyl]amino]-N-[3,4-dioxo-4-[[( 1R)-1-phenylethyl]amino]butan-2-yl]-N',N'-dim ethylbutanediamide
  • MW: 573.724 | Formula: C30H47N5O6
  • H donors: 4 H acceptors: 6 LogP: 2.64 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N[C@H](C(=O)NC(C(=O)C(=O)N[C@@H](c1ccccc1)C)C)CC(=O)N(C)C
  • InChi: 1S/C30H47N5O6/c1-18(20-14-12-11-13-15-20)31-27(40)24(38)19(2)32-26(39)21(16-23(37)35(9)10)33-28(41)25(30(6,7)8)34-22(36)17-29(3,4)5/h11-15,18-19,21,25H,16-17H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,36)/t18-,19?,21+,25-/m1/s1
  • InChiKey: YRRJUHCZUVWGHX-QGUZCMRGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-N-[1-methyl-2,3-dioxo-3-[[(1R)-1-phenylethyl]amino]propyl]butanediamide
  • (2S)-2-[[(2S)-2-[(3,3-dimethyl-1-oxobutyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-N',N'-dimethyl-N-[1-methyl-2,3-dioxo-3-[[(1R)-1-phenylethyl]amino]propyl]butanediamide
  • (2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N-[3,4-dioxo-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-N',N'-dimethyl-butanediamide
  • (2S)-N-[2,3-diketo-1-methyl-3-[[(1R)-1-phenylethyl]amino]propyl]-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3,3-dimethyl-butanoyl]amino]-N',N'-dimethyl-succinamide
  • AIDS-093302
  • AIDS093302
  • (S)-2-[(S)-2-(3,3-Dimethyl-butanoylamino)-3,3-dimethyl-butanoylamino]-N4,N4-dimethyl-N1-[1-methyl-2-oxo-2-((R)-1-phenyl-ethylcarbamoyl)-ethyl]-succinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human rhinovirus sp. Human rhinovirus A protease Starlite/ChEMBL References

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
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0052 0.053 0.1142
Plasmodium vivax thioredoxin reductase, putative 0.0266 0.387 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0254 0.3675 0.9483
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0052 0.053 0.0054
Echinococcus granulosus glutamate synthase 0.0052 0.053 0.0428
Schistosoma mansoni hypothetical protein 0.0174 0.2436 0.4324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.0542
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0052 0.053 0.0435
Entamoeba histolytica glycogen phosphorylase, putative 0.0051 0.0509 0.0965
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0196 0.2778 1
Brugia malayi glutamate synthase 0.0052 0.053 0.1142
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.0259 0.0162
Entamoeba histolytica thioredoxin reductase, putative 0.0052 0.053 0.1146
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0052 0.053 0.1142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0052 0.053 0.0428
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0169 0.0037
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0466 0.0598
Trypanosoma cruzi trypanothione reductase, putative 0.0196 0.2778 0.2706
Onchocerca volvulus 0.0029 0.0169 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0052 0.053 0.1146
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0659 1 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0117 0.1548 0.4546
Loa Loa (eye worm) hypothetical protein 0.0028 0.015 0.0135
Trypanosoma brucei trypanothione reductase 0.0266 0.387 0.387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0052 0.053 0.0428
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0052 0.053 0.1142
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0169 0.0037
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0153 0.2097 0.414
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0052 0.053 0.1142
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0557 0.8411 0.8395
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0196 0.2778 0.5914
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0398 0.0302
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0196 0.2778 1
Echinococcus multilocularis geminin 0.0174 0.2436 0.2579
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0398 0.0302
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0052 0.053 0.0091
Toxoplasma gondii target of rapamycin (TOR), putative 0.0032 0.0224 0.033
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.053 0.0435
Entamoeba histolytica disulphide oxidoreductase, putative 0.0052 0.053 0.1146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0159 0.0233
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0052 0.053 0.053
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0659 1 1
Loa Loa (eye worm) programmed cell death 8 0.0052 0.053 0.1142
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0596 0.9016 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0085 0.0002
Schistosoma mansoni glycogen phosphorylase 0.0051 0.0509 0.0679
Mycobacterium ulcerans ferredoxin reductase 0.0052 0.053 0.0091
Toxoplasma gondii selenide, water dikinase 0.0052 0.053 0.1142
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0169 0.0022
Giardia lamblia Glutamate synthase 0.0052 0.053 0.0554
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0153 0.2097 0.414
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0052 0.053 0.0091
Mycobacterium ulcerans hypothetical protein 0.0052 0.053 0.0091
Trichomonas vaginalis glutathione reductase, putative 0.0196 0.2778 0.8364
Trypanosoma cruzi trypanothione reductase, putative 0.0266 0.387 0.3808
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0052 0.053 0.0091
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0052 0.053 0.0428
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0196 0.2778 0.2706
Onchocerca volvulus 0.0048 0.0466 0.1003
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0052 0.053 0.1383
Loa Loa (eye worm) glutathione reductase 0.0266 0.387 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0052 0.053 0.0428
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0052 0.053 0.1142
Toxoplasma gondii thioredoxin reductase 0.0266 0.387 1
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0052 0.053 0.1142
Onchocerca volvulus 0.023 0.3305 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0557 0.8411 0.8411
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0557 0.8411 0.8395
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0398 0.0974
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0153 0.2097 0.414
Trypanosoma cruzi NADH dehydrogenase, putative 0.0052 0.053 0.0435
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0196 0.2778 0.7104
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0144 0.1965 0.495
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Loa Loa (eye worm) thioredoxin reductase 0.0266 0.387 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0196 0.2778 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0052 0.053 0.1146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0398 0.0974
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0124 0.0123
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0052 0.053 0.0435
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2869 0.7347
Brugia malayi Pre-SET motif family protein 0.0202 0.2869 0.7347
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0196 0.2778 0.7104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0169 0.0037
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0052 0.053 0.1142
Giardia lamblia Thioredoxin reductase 0.0052 0.053 0.0554
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.015 0.0135
Schistosoma mansoni sulfide quinone reductase 0.0052 0.053 0.0718
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0052 0.053 0.0054
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0052 0.053 0.0428
Mycobacterium tuberculosis Probable oxidoreductase 0.0297 0.4346 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0124 0.0123
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.053 0.0435
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0052 0.053 0.0054
Mycobacterium ulcerans dehydrogenase 0.0052 0.053 0.0091
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0052 0.053 0.0554
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0196 0.2778 0.2706
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0052 0.053 0.0428
Plasmodium vivax SET domain protein, putative 0.0029 0.0169 0.0187
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0169 0.0187
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0398 0.0302
Chlamydia trachomatis glycogen phosphorylase 0.0117 0.1548 0.4531
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0398 0.0793
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0196 0.2778 0.2964
Echinococcus multilocularis glutamate synthase 0.0052 0.053 0.0428
Loa Loa (eye worm) intermediate filament protein 0.0028 0.015 0.0135
Echinococcus multilocularis Glycosyl transferase, family 35 0.0117 0.1548 0.1577
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0169 0.0037
Plasmodium vivax ferrodoxin reductase, putative 0.0052 0.053 0.1142
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0196 0.2778 1
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0052 0.053 0.0428
Plasmodium falciparum glutathione reductase 0.0266 0.387 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0117 0.1548 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.0542
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0398 0.0398
Echinococcus multilocularis tumor protein p63 0.0328 0.4835 0.5284
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0052 0.053 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0298 0.0665
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Onchocerca volvulus Glycogen phosphorylase homolog 0.0117 0.1548 0.4432
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0398 0.0469
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.0542
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0052 0.053 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Plasmodium falciparum ferrodoxin reductase-like protein 0.0052 0.053 0.1142
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0196 0.2778 0.2778
Echinococcus granulosus glycogen phosphorylase 0.0117 0.1548 0.1577
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0052 0.053 0.0435
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0144 0.1965 0.495
Onchocerca volvulus 0.0052 0.053 0.1204
Trichomonas vaginalis set domain proteins, putative 0.023 0.3305 1
Toxoplasma gondii NADPH-glutathione reductase 0.0196 0.2778 0.7104
Brugia malayi glutathione reductase 0.0266 0.387 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.0542
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.012 0.0111
Echinococcus granulosus thioredoxin glutathione reductase 0.0266 0.387 0.4196
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0052 0.053 0.053
Schistosoma mansoni glutamate synthase 0.0052 0.053 0.0718
Echinococcus granulosus tm gpcr rhodopsin 0.0596 0.9016 1
Plasmodium falciparum glutathione reductase 0.0196 0.2778 0.7104
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0153 0.2097 0.414
Loa Loa (eye worm) hypothetical protein 0.0029 0.0169 0.0187
Loa Loa (eye worm) hypothetical protein 0.0027 0.0142 0.0114
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0052 0.053 0.0091
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0196 0.2778 0.497
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0052 0.053 0.1146
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0052 0.053 0.1142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0259 0.0542
Entamoeba histolytica glycogen phosphorylase, putative 0.0051 0.0509 0.0965
Loa Loa (eye worm) hypothetical protein 0.0052 0.053 0.1142
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0398 0.0793
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0052 0.053 0.0428
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0052 0.053 0.0428
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0196 0.2778 0.7104
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0196 0.2778 1
Giardia lamblia Glycogen phosphorylase 0.0117 0.1548 0.4833
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.0259 0.0162
Schistosoma mansoni glycogen phosphorylase 0.0117 0.1548 0.2644
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0052 0.053 0.0091
Brugia malayi Pre-SET motif family protein 0.0029 0.0169 0.0187
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0052 0.053 0.1383
Loa Loa (eye worm) hypothetical protein 0.0048 0.0466 0.0974
Schistosoma mansoni glycogen phosphorylase 0.0117 0.1548 0.2644
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0398 0.0398
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0052 0.053 0.0054
Leishmania major trypanothione reductase 0.0266 0.387 0.3808
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0052 0.053 0.0091
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0489 0.7348 0.7321
Echinococcus granulosus Glycosyl transferase family 35 0.0117 0.1548 0.1577
Leishmania major hypothetical protein, conserved 0.0052 0.053 0.0435
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0169 0.0022
Brugia malayi follicle stimulating hormone receptor 0.0254 0.3675 0.9483
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0052 0.053 0.053
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0153 0.0003
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0052 0.053 0.0435
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0052 0.053 0.1142
Trichomonas vaginalis glutamate synthase, putative 0.0052 0.053 0.1383
Echinococcus granulosus geminin 0.0174 0.2436 0.2579
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0052 0.053 0.1383
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0099 0.0099
Schistosoma mansoni hypothetical protein 0.005 0.0501 0.0663
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0266 0.387 0.876
Schistosoma mansoni glutamate synthase 0.0052 0.053 0.0718
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0297 0.4346 1
Treponema pallidum NADH oxidase 0.0196 0.2778 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0398 0.028
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0196 0.2778 0.7104
Echinococcus multilocularis glycogen phosphorylase 0.0117 0.1548 0.1577
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0489 0.7348 0.7321
Brugia malayi intermediate filament protein 0.0028 0.015 0.0135
Trichomonas vaginalis glycogen phosphorylase, putative 0.0117 0.1548 0.4546
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0489 0.7348 0.7321
Trypanosoma brucei NADH dehydrogenase 0.0052 0.053 0.053
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0052 0.053 0.1383
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0153 0.2097 0.4108
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0052 0.053 0.1146
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0196 0.2778 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0297 0.4346 1
Trichomonas vaginalis glutamate synthase, putative 0.0052 0.053 0.1383
Echinococcus multilocularis glycogen phosphorylase 0.0117 0.1548 0.1577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0174 0.0278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0124 0.0123
Trichomonas vaginalis mercuric reductase, putative 0.0196 0.2778 0.8364
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0085 0.0002
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0052 0.053 0.1142
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0085 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0398 0.0974
Mycobacterium tuberculosis Probable dehydrogenase 0.0153 0.2097 0.414
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0039 0.0039
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0052 0.053 0.1142
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0052 0.053 0.1142
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.015 0.0135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0085 0.0002
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0398 0.028
Leishmania major hypothetical protein, conserved 0.0052 0.053 0.0435
Schistosoma mansoni glutamate synthase 0.0052 0.053 0.0718
Plasmodium falciparum thioredoxin reductase 0.0196 0.2778 0.7104
Mycobacterium ulcerans monoxygenase 0.0052 0.053 0.0091
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.0259 0.0259
Schistosoma mansoni sulfide quinone reductase 0.0052 0.053 0.0718
Mycobacterium ulcerans glutamate synthase subunit beta 0.0052 0.053 0.0091
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0052 0.053 0.0435
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0052 0.053 0.053
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0196 0.2778 0.2964
Loa Loa (eye worm) glycogen phosphorylase 0.0117 0.1548 0.3843
Brugia malayi carbohydrate phosphorylase 0.0117 0.1548 0.3843
Trypanosoma cruzi NADH dehydrogenase, putative 0.0052 0.053 0.0435
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0052 0.053 0.0054
Echinococcus multilocularis thioredoxin glutathione reductase 0.0266 0.387 0.4196
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0169 0.0022
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0052 0.053 0.0091
Trypanosoma brucei hypothetical protein, conserved 0.0052 0.053 0.053
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0052 0.053 0.0428
Leishmania major hypothetical protein, conserved 0.0052 0.053 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432
Schistosoma mansoni hypothetical protein 0.0174 0.2436 0.4324
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0052 0.053 0.0428
Brugia malayi Thioredoxin reductase 0.0266 0.387 1
Leishmania major NADH dehydrogenase, putative 0.0052 0.053 0.0435
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0557 0.8411 0.8395
Schistosoma mansoni disulfide oxidoreductase 0.0052 0.053 0.0718
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0052 0.053 0.0054
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0196 0.2778 0.7104
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0297 0.4346 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0052 0.053 0.0428
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0052 0.053 0.1383
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0398 0.0302
Plasmodium falciparum thioredoxin reductase 0.0266 0.387 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0196 0.2778 0.2706
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0052 0.053 0.1142
Entamoeba histolytica glycogen phosphorylase, putative 0.0117 0.1548 1
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0052 0.053 0.1146
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0196 0.2778 0.7104
Plasmodium vivax glutathione reductase, putative 0.0266 0.387 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0659 1 1
Echinococcus granulosus tumor protein p63 0.0328 0.4835 0.5284
Echinococcus granulosus glycogen phosphorylase 0.0117 0.1548 0.1577
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0489 0.7348 0.7348
Trichomonas vaginalis apoptosis inducing factor, putative 0.0052 0.053 0.1383
Mycobacterium ulcerans NADH dehydrogenase 0.0052 0.053 0.0091
Mycobacterium tuberculosis Probable reductase 0.0153 0.2097 0.414
Entamoeba histolytica glycogenphosphorylase, putative 0.0051 0.0509 0.0965
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.012 0.0111
Schistosoma mansoni hypothetical protein 0.0052 0.053 0.0718
Giardia lamblia NADH oxidase lateral transfer candidate 0.0196 0.2778 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0224 0.0432

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.28 uM Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease ChEMBL. 9406601
IC50 (binding) = 0.28 uM Micro molar potency of the compound to inhibit human cytomegalovirus (HCMV) protease ChEMBL. 9406601

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

1 literature reference was collected for this gene.

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