Detailed information for compound 1008283

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 568.54 | Formula: C22H29N6O8PS
  • H donors: 2 H acceptors: 4 LogP: 1.95 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: [N-]=[N+]=N[C@H]1C[C@@H](O[C@@H]1COP(=O)(Oc1ccccc1)OCCSC(=O)C(N)(C)C)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C22H29N6O8PS/c1-14-12-28(21(31)25-19(14)29)18-11-16(26-27-24)17(35-18)13-34-37(32,36-15-7-5-4-6-8-15)33-9-10-38-20(30)22(2,3)23/h4-8,12,16-18H,9-11,13,23H2,1-3H3,(H,25,29,31)/t16-,17+,18+,37?/m0/s1
  • InChiKey: DXSNETCYYNLWEK-QYXZXOAVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 tumor protein p63 0.0389 0.1763 0.5719
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0059 0.0136 0.0295
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0223 0.0945 0.299
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.015 0.0585 0.1804
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0223 0.0945 0.3016
Trypanosoma brucei hypothetical protein, conserved 0.0059 0.0136 0.0295
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0059 0.0136 0.0292
Schistosoma mansoni glutamate synthase 0.0059 0.0136 0.0088
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0059 0.0136 0.0112
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.147 0.709 0.897
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.115 0.1404
Brugia malayi MH1 domain containing protein 0.0068 0.0179 0.0316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0243 0.2249
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0048 0.0448
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.015 0.0585 0.1788
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.147 0.709 0.897
Brugia malayi beta-lactamase family protein 0.0041 0.0048 0.0041
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0059 0.0136 0.0292
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0108 0.0228
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0059 0.0136 0.0978
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.005 0.0092 0.0148
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0286 0.2649
Echinococcus multilocularis musashi 0.0054 0.0108 0.02
Mycobacterium ulcerans NADH dehydrogenase 0.0059 0.0136 0.0978
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0059 0.0136 0.0295
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.015 0.0585 1
Brugia malayi hypothetical protein 0.0113 0.0399 0.0781
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.015 0.0585 0.1804
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0059 0.0136 0.0226
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0335 0.0703
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0059 0.0136 0.0292
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0433 0.4004
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0223 0.0945 0.2803
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0125 0.0077
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0108 0.0167
Entamoeba histolytica hypothetical protein 0.0113 0.0399 0.5855
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0223 0.0945 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0068 0.0179 0.0435
Trichomonas vaginalis glutathione reductase, putative 0.0223 0.0945 0.8734
Plasmodium falciparum glutathione reductase 0.0223 0.0945 0.2803
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.1634 0.7898 1
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0059 0.0136 0.0112
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0164 0.0652 0.1317
Mycobacterium ulcerans ferredoxin reductase 0.0059 0.0136 0.0978
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0286 0.2649
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0059 0.0136 0.0292
Onchocerca volvulus 0.0251 0.1082 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0223 0.0945 0.299
Plasmodium falciparum thioredoxin reductase 0.0644 0.302 1
Leishmania major hypothetical protein, conserved 0.0059 0.0136 0.0295
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.005 0.0092 0.0044
Plasmodium falciparum glutathione reductase 0.0644 0.302 1
Leishmania major NADH dehydrogenase, putative 0.0059 0.0136 0.0295
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0071 0.0194 0.049
Trichomonas vaginalis glutamate synthase, putative 0.0059 0.0136 0.1258
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0059 0.0136 0.0295
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0059 0.0136 0.0295
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0048 0.0102
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.005 0.0092 0.0148
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0059 0.0136 0.0295
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.015 0.0585 0.1804
Loa Loa (eye worm) thioredoxin reductase 0.0644 0.302 0.6344
Schistosoma mansoni transcription factor LCR-F1 0.0113 0.0399 0.0352
Schistosoma mansoni lamin 0.0054 0.0108 0.006
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0059 0.0136 0.1258
Loa Loa (eye worm) MH2 domain-containing protein 0.0997 0.4761 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0101 0.0341 0.315
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0223 0.0945 0.3016
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Schistosoma mansoni tar DNA-binding protein 0.0596 0.2784 0.2749
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0092 0.0853
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.005 0.0092 0.0148
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0223 0.0945 0.3016
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0092 0.0133
Brugia malayi Pre-SET motif family protein 0.0221 0.0931 0.1906
Schistosoma mansoni lamin 0.0054 0.0108 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0585 0.5405
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0059 0.0136 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0092 0.0853
Leishmania major hypothetical protein, conserved 0.0059 0.0136 0.0295
Brugia malayi beta-lactamase family protein 0.0041 0.0048 0.0041
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0433 0.4004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0244 0.2254
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0059 0.0136 0.1258
Loa Loa (eye worm) hypothetical protein 0.01 0.0335 0.0703
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0059 0.0136 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Toxoplasma gondii NADPH-glutathione reductase 0.0223 0.0945 0.3128
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0059 0.0136 0.0295
Brugia malayi MH2 domain containing protein 0.0068 0.0179 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0596 0.2784 0.2749
Loa Loa (eye worm) hypothetical protein 0.0059 0.0136 0.0286
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0059 0.0136 0.0295
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0048 0.0448
Schistosoma mansoni hypothetical protein 0.0059 0.0136 0.0088
Toxoplasma gondii ABC1 family protein 0.0041 0.0048 0.016
Entamoeba histolytica hypothetical protein 0.0113 0.0399 0.5855
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0223 0.0945 0.3128
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0059 0.0136 0.0295
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.012 0.0434 0.1296
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0043 0.0394
Leishmania major phosphatidylinositol 3-related kinase, putative 0.005 0.0092 0.0148
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0113 0.0399 0.1168
Loa Loa (eye worm) TAR-binding protein 0.0596 0.2784 0.5847
Trypanosoma brucei NADH dehydrogenase 0.0059 0.0136 0.0295
Trypanosoma brucei trypanothione reductase 0.0644 0.302 1
Mycobacterium ulcerans glutamate synthase subunit beta 0.0059 0.0136 0.0978
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0059 0.0136 0.0295
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.015 0.0585 0.1804
Loa Loa (eye worm) beta-lactamase 0.0041 0.0048 0.0102
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0092 0.0194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0243 0.2249
Brugia malayi glutamate synthase 0.0059 0.0136 0.0226
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0059 0.0136 0.0112
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0059 0.0136 0.0292
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0059 0.0136 0.0295
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0059 0.0136 0.0451
Schistosoma mansoni Smad4 0.0068 0.0179 0.0131
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0059 0.0136 0.0292
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0059 0.0136 0.0978
Schistosoma mansoni tar DNA-binding protein 0.0596 0.2784 0.2749
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0059 0.0136 0.0978
Plasmodium vivax thioredoxin reductase, putative 0.0644 0.302 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.147 0.709 0.897
Brugia malayi MH2 domain containing protein 0.0997 0.4761 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0068 0.0179 0.0131
Trichomonas vaginalis glutamate synthase, putative 0.0059 0.0136 0.1258
Brugia malayi RNA binding protein 0.0596 0.2784 0.5822
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0059 0.0136 0.0226
Leishmania major phosphatidylinositol 3-kinase, putative 0.005 0.0092 0.0148
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0059 0.0136 0.0295
Giardia lamblia NADH oxidase lateral transfer candidate 0.0223 0.0945 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0282 0.2608
Toxoplasma gondii target of rapamycin (TOR), putative 0.0112 0.0395 0.1307
Brugia malayi RNA recognition motif domain containing protein 0.0596 0.2784 0.5822
Echinococcus multilocularis thioredoxin glutathione reductase 0.065 0.3046 1
Onchocerca volvulus 0.0057 0.0125 0.074
Schistosoma mansoni smad1 5 8 and 0.0068 0.0179 0.0131
Onchocerca volvulus 0.0054 0.0108 0.0581
Giardia lamblia GTOR 0.015 0.0585 0.5546
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Trypanosoma cruzi trypanothione reductase, putative 0.0223 0.0945 0.3016
Echinococcus multilocularis Smad4 0.0068 0.0179 0.0435
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0059 0.0136 0.0451
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.005 0.0092 0.0146
Schistosoma mansoni glutamate synthase 0.0059 0.0136 0.0088
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Echinococcus granulosus tumor protein p63 0.0389 0.1763 0.5719
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0223 0.0945 0.0901
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.015 0.0585 0.1804
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0059 0.0136 0.0451
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0059 0.0136 0.0112
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0092 0.0853
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.0931 0.1956
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0059 0.0136 0.0295
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.1634 0.7898 1
Entamoeba histolytica hypothetical protein 0.0113 0.0399 0.5855
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0596 0.2784 0.5847
Trichomonas vaginalis esterase, putative 0.0041 0.0048 0.0448
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0223 0.0945 0.1935
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Echinococcus multilocularis lamin dm0 0.0054 0.0108 0.02
Schistosoma mansoni disulfide oxidoreductase 0.0059 0.0136 0.0088
Schistosoma mansoni smad1 5 8 and 0.0068 0.0179 0.0131
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0223 0.0945 0.3016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0282 0.2608
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Echinococcus granulosus smad 0.0068 0.0179 0.0435
Onchocerca volvulus 0.0054 0.0108 0.0581
Brugia malayi MH1 domain containing protein 0.0068 0.0179 0.0316
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0223 0.0945 0.3016
Trichomonas vaginalis PIKK family atypical protein kinase 0.009 0.0286 0.2649
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0059 0.0136 0.0292
Echinococcus multilocularis tar DNA binding protein 0.0596 0.2784 0.9125
Brugia malayi TAR-binding protein 0.0596 0.2784 0.5822
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0059 0.0136 0.0112
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.015 0.0585 0.0539
Loa Loa (eye worm) hypothetical protein 0.0053 0.0104 0.0218
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0048 0.0448
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0223 0.0945 0.3016
Loa Loa (eye worm) phosphatidylinositol 3 0.015 0.0585 0.1228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0244 0.2254
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0059 0.0136 0.1258
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0059 0.0136 0.0292
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Schistosoma mansoni glutamate synthase 0.0059 0.0136 0.0088
Brugia malayi glutathione reductase 0.0644 0.302 0.6321
Mycobacterium tuberculosis Probable reductase 0.147 0.709 0.897
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Loa Loa (eye worm) nuclear factor I 0.0038 0.0029 0.0061
Loa Loa (eye worm) hypothetical protein 0.0068 0.0179 0.0377
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0108 0.0228
Plasmodium falciparum thioredoxin reductase 0.0223 0.0945 0.2803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0244 0.2254
Onchocerca volvulus 0.0059 0.0136 0.0849
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0244 0.2254
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0335 0.0646
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0585 0.5405
Echinococcus granulosus thioredoxin glutathione reductase 0.065 0.3046 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0059 0.0136 0.1258
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0059 0.0136 0.0295
Echinococcus multilocularis mothers against decapentaplegic 5 0.0068 0.0179 0.0435
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0164 0.0652 0.1317
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0059 0.0136 0.0112
Brugia malayi Smad1 0.0068 0.0179 0.0316
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0059 0.0136 0.0112
Trypanosoma cruzi trypanothione reductase, putative 0.0644 0.302 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0059 0.0136 0.0226
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0223 0.0945 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Schistosoma mansoni sulfide quinone reductase 0.0059 0.0136 0.0088
Trichomonas vaginalis set domain proteins, putative 0.0251 0.1082 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0433 0.4004
Echinococcus multilocularis glutamate synthase 0.0059 0.0136 0.0292
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0223 0.0945 0.2803
Echinococcus granulosus Smad4 0.0068 0.0179 0.0435
Trypanosoma cruzi NADH dehydrogenase, putative 0.0059 0.0136 0.0295
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0223 0.0945 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0223 0.0945 0.3016
Mycobacterium tuberculosis Probable dehydrogenase 0.147 0.709 0.897
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0059 0.0136 0.0286
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0059 0.0136 0.0112
Plasmodium vivax ferrodoxin reductase, putative 0.0059 0.0136 0.0295
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.005 0.0092 0.0148
Toxoplasma gondii thioredoxin reductase 0.0644 0.302 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0059 0.0136 0.0978
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0062 0.0152 0.0347
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0433 0.4004
Loa Loa (eye worm) RNA binding protein 0.0596 0.2784 0.5847
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0179 0.0376
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0059 0.0136 0.0292
Trypanosoma cruzi target of rapamycin kinase 3 0.012 0.0434 0.1296
Schistosoma mansoni smad1 5 8 and 0.0068 0.0179 0.0131
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.005 0.0092 0.0146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0223 0.0945 1
Echinococcus granulosus lamin 0.0054 0.0108 0.02
Trichomonas vaginalis mercuric reductase, putative 0.0223 0.0945 0.8734
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Schistosoma mansoni tar DNA-binding protein 0.0596 0.2784 0.2749
Schistosoma mansoni hypothetical protein 0.0113 0.0399 0.0352
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.015 0.0585 0.1174
Mycobacterium ulcerans hypothetical protein 0.0059 0.0136 0.0978
Leishmania major trypanothione reductase 0.0644 0.302 1
Echinococcus granulosus lamin dm0 0.0054 0.0108 0.02
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0136 0.0295
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.0136 0.0295
Echinococcus multilocularis lamin 0.0054 0.0108 0.02
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Schistosoma mansoni intermediate filament proteins 0.0054 0.0108 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0092 0.0853
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.015 0.0585 0.1788
Mycobacterium ulcerans dehydrogenase 0.0059 0.0136 0.0978
Echinococcus granulosus intermediate filament protein 0.0054 0.0108 0.02
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0059 0.0136 0.0292
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0335 0.0646
Toxoplasma gondii selenide, water dikinase 0.0059 0.0136 0.0451
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0048 0.0448
Loa Loa (eye worm) programmed cell death 8 0.0059 0.0136 0.0286
Echinococcus granulosus glutamate synthase 0.0059 0.0136 0.0292
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.1634 0.7898 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0119 0.0433 0.4004
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0059 0.0136 0.0292
Plasmodium vivax glutathione reductase, putative 0.0644 0.302 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0068 0.0179 0.0435
Brugia malayi Thioredoxin reductase 0.0644 0.302 0.6321
Trypanosoma cruzi NADH dehydrogenase, putative 0.0059 0.0136 0.0295
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0644 0.302 0.3786
Mycobacterium tuberculosis Putative ferredoxin reductase 0.147 0.709 0.897
Brugia malayi MH2 domain containing protein 0.0068 0.0179 0.0316
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0059 0.0136 0.1258
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0223 0.0945 0.1142
Mycobacterium ulcerans monoxygenase 0.0059 0.0136 0.0978
Brugia malayi beta-lactamase 0.0041 0.0048 0.0041
Loa Loa (eye worm) transcription factor SMAD2 0.0997 0.4761 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0048 0.0041
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0223 0.0945 1
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0059 0.0136 0.0978
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.147 0.709 0.897
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0059 0.0136 0.0112
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0223 0.0945 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0325 0.3002
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0059 0.0136 0.0978
Loa Loa (eye worm) hypothetical protein 0.0041 0.0048 0.0102
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.015 0.0585 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.015 0.0585 0.5405
Trypanosoma brucei target of rapamycin kinase 3, putative 0.012 0.0434 0.1296
Loa Loa (eye worm) hypothetical protein 0.0054 0.0108 0.0228
Echinococcus multilocularis smad 0.0068 0.0179 0.0435
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0243 0.2249
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0059 0.0136 0.0451
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0059 0.0136 0.0112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0476 0.4403
Leishmania major hypothetical protein, conserved 0.0059 0.0136 0.0295
Echinococcus granulosus tar DNA binding protein 0.0596 0.2784 0.9125
Schistosoma mansoni tar DNA-binding protein 0.0596 0.2784 0.2749
Entamoeba histolytica hypothetical protein 0.0113 0.0399 0.5855
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0059 0.0136 0.0292
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0223 0.0945 0.3016
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0061
Schistosoma mansoni sulfide quinone reductase 0.0059 0.0136 0.0088
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0223 0.0945 0.3016
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0223 0.0945 0.3016
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0223 0.0945 0.3016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Loa Loa (eye worm) hypothetical protein 0.0057 0.0125 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0113 0.0399 0.1168
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0092 0.0853
Loa Loa (eye worm) glutathione reductase 0.0644 0.302 0.6344
Trichomonas vaginalis apoptosis inducing factor, putative 0.0059 0.0136 0.1258
Schistosoma mansoni smad 0.0068 0.0179 0.0131
Brugia malayi intermediate filament protein 0.0054 0.0108 0.0167
Echinococcus granulosus TGF beta signal transducer SmadC 0.0068 0.0179 0.0435
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.0179 0.0376
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.015 0.0585 0.1804
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0048 0.0448
Mycobacterium tuberculosis Probable oxidoreductase 0.1634 0.7898 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0112 0.0395 0.365
Loa Loa (eye worm) Smad1 0.0068 0.0179 0.0376
Treponema pallidum NADH oxidase 0.0223 0.0945 1
Schistosoma mansoni hypothetical protein 0.0068 0.0179 0.0132
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0179 0.0318

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 120 uM Cytotoxicity against human CEM-SS cells ChEMBL. 18585917
CC50 (ADMET) > 120 uM Cytotoxicity against human MT4 cells ChEMBL. 18585917
CC50 (ADMET) > 120 uM Cytotoxicity against human thymidine kinase-deficient CEM cells ChEMBL. 18585917
T1/2 (ADMET) < 1 min Stability in human CEM-SS cell culture medium ChEMBL. 18585917
T1/2 (ADMET) = 8 min Stability in human CEM-SS cell extracts ChEMBL. 18585917

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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