Detailed information for compound 142129

Basic information

Technical information
  • TDR Targets ID: 142129
  • Name: 3-[dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2 ,6,10-trienyl]azaniumyl]propane-1-sulfonate
  • MW: 371.578 | Formula: C20H37NO3S
  • H donors: 0 H acceptors: 3 LogP: 4.66 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\C[N+](CCCS(=O)(=O)[O-])(C)C)/CC/C=C(/CCC=C(C)C)\C
  • InChi: 1S/C20H37NO3S/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-16-21(5,6)15-9-17-25(22,23)24/h10,12,14H,7-9,11,13,15-17H2,1-6H3/b19-12+,20-14+
  • InChiKey: IPTGHUMOONTJAX-LCAIAVFMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ammonio]propane-1-sulfonate
  • 3-[dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]ammonio]-1-propanesulfonate

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
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0061 0.0366 0.0366
Schistosoma mansoni hypothetical protein 0.0795 0.6647 0.7945
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0108 0.0769 0.1145
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0052 0.0147
Mycobacterium tuberculosis Probable hydrolase 0.0186 0.1436 0.1436
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0709 0.5914 0.5914
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0029 0.0092 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0894 0.1064
Loa Loa (eye worm) programmed cell death 8 0.0029 0.0092 0.0306
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0029 0.0092 0.0333
Mycobacterium ulcerans hypothetical protein 0.0024 0.0052 0.0147
Echinococcus granulosus beta LACTamase domain containing family member 0.0186 0.1436 0.2151
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0029 0.0092 0.0366
Brugia malayi glutathione reductase 0.0311 0.2507 0.7703
Onchocerca volvulus 0.0024 0.0052 0.0146
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0709 0.5914 0.5914
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0029 0.0092 0.0333
Schistosoma mansoni pyruvate kinase 0.0038 0.017 0.0197
Schistosoma mansoni sulfide quinone reductase 0.0029 0.0092 0.0104
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0081 0.0098
Mycobacterium ulcerans thioredoxin reductase TrxB2 0.0029 0.0092 0.0261
Mycobacterium ulcerans pyruvate kinase 0.0038 0.017 0.0484
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0172
Wolbachia endosymbiont of Brugia malayi NADPH-dependent glutamate synthase beta chain 0.0029 0.0092 0.1093
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0052 0.0133
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0108 0.0769 1
Mycobacterium tuberculosis Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0029 0.0092 0.0092
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0029 0.0092 0.0366
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.017 0.0181
Echinococcus granulosus ferritin 0.0061 0.0366 0.0539
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0108 0.0769 0.3043
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0061 0.0366 0.0366
Entamoeba histolytica hypothetical protein 0.0024 0.0054 0.0062
Plasmodium vivax thioredoxin reductase, putative 0.0311 0.2507 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Toxoplasma gondii ABC1 family protein 0.0186 0.1436 0.5714
Treponema pallidum oxidoreductase 0.0029 0.0092 0.0113
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0186 0.1436 0.1712
Loa Loa (eye worm) hypothetical protein 0.0029 0.0097 0.0322
Mycobacterium leprae Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate 0.0029 0.0092 0.0061
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0789 0.6592 1
Chlamydia trachomatis pyruvate kinase 0.0038 0.017 0.2209
Plasmodium falciparum pyruvate kinase 2 0.0019 0.0013 0.0051
Schistosoma mansoni pyruvate kinase 0.0019 0.0013 0.001
Trichomonas vaginalis apoptosis inducing factor, putative 0.0029 0.0092 0.0113
Plasmodium falciparum zinc finger protein, putative 0.0024 0.0054 0.0216
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0029 0.0092 0.0333
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0186 0.1436 0.1436
Brugia malayi F/Y-rich N-terminus family protein 0.0048 0.0257 0.0766
Giardia lamblia Pyruvate kinase 0.0038 0.017 0.022
Loa Loa (eye worm) hypothetical protein 0.02 0.1559 0.5193
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0186 0.1436 0.4401
Mycobacterium ulcerans monoxygenase 0.0029 0.0092 0.0261
Echinococcus multilocularis pyruvate kinase 0.0019 0.0013 0.0006
Schistosoma mansoni cpg binding protein 0.0121 0.0879 0.1045
Schistosoma mansoni SET domain protein 0.0021 0.0023 0.0022
Loa Loa (eye worm) hypothetical protein 0.0213 0.1665 0.5544
Echinococcus granulosus pyruvate kinase 0.0019 0.0013 0.0006
Schistosoma mansoni methyl-cpg binding protein mbd 0.0089 0.0608 0.0721
Toxoplasma gondii histone lysine methyltransferase SET1 0.0242 0.1917 0.7639
Giardia lamblia Thioredoxin reductase 0.0029 0.0092 0.0113
Echinococcus multilocularis pyruvate kinase 0.0038 0.017 0.0243
Onchocerca volvulus 0.0186 0.1436 0.7284
Giardia lamblia NADH oxidase lateral transfer candidate 0.0108 0.0769 0.1036
Schistosoma mansoni pyruvate kinase 0.0038 0.017 0.0197
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Mycobacterium tuberculosis Probable esterase LipL 0.0186 0.1436 0.1436
Loa Loa (eye worm) hypothetical protein 0.0122 0.0894 0.2979
Mycobacterium ulcerans lipase LipD 0.0186 0.1436 0.4093
Onchocerca volvulus 0.0029 0.0092 0.0352
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0029 0.0092 0.0333
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0009 0.0034
Echinococcus granulosus mixed lineage leukemia protein mll 0.0031 0.0113 0.0157
Echinococcus granulosus pyruvate kinase 0.0019 0.0013 0.0006
Schistosoma mansoni cpg binding protein 0.0137 0.1023 0.1218
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0029 0.0092 0.0113
Schistosoma mansoni ferritin 0.0061 0.0366 0.0432
Trichomonas vaginalis mercuric reductase, putative 0.0108 0.0769 0.1036
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0108 0.0769 0.3043
Trichomonas vaginalis glutamate synthase, putative 0.0029 0.0092 0.0113
Mycobacterium tuberculosis Conserved protein 0.0186 0.1436 0.1436
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0029 0.0092 0.0125
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0108 0.0769 1
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0092 0.0333
Mycobacterium ulcerans bacterioferritin BfrB 0.0061 0.0366 0.1043
Mycobacterium tuberculosis Probable thioredoxin reductase TrxB2 (TRXR) (TR) 0.0029 0.0092 0.0092
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0029 0.0092 0.0125
Leishmania major hypothetical protein, conserved 0.008 0.053 0.2086
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0052 0.0147
Giardia lamblia Pyruvate kinase 0.0019 0.0013 0.0006
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.017 0.0497
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0133 0.0154
Plasmodium falciparum thioredoxin reductase 0.0311 0.2507 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0186 0.1436 0.1712
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.017 0.022
Trichomonas vaginalis glutamate synthase, putative 0.0029 0.0092 0.0113
Mycobacterium leprae THIOREDOXIN TRXC (TRX) (MPT46) 0.0029 0.0092 0.0061
Mycobacterium ulcerans beta-lactamase 0.0186 0.1436 0.4093
Mycobacterium leprae conserved hypothetical protein 0.0186 0.1436 0.2117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Trypanosoma brucei trypanothione reductase 0.0311 0.2507 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0029 0.0092 0.0256
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0052 0.0059
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0029 0.0092 0.0125
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0789 0.6592 0.6592
Trypanosoma brucei NADH dehydrogenase 0.0029 0.0092 0.0333
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0029 0.0092 0.0256
Loa Loa (eye worm) glutathione reductase 0.0311 0.2507 0.835
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0172
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0108 0.0769 0.3043
Leishmania major hypothetical protein, conserved 0.0029 0.0092 0.0333
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0133 0.05
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0186 0.1436 0.4093
Mycobacterium ulcerans hypothetical protein 0.0029 0.0092 0.0261
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0052 0.0147
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.1709 0.5692
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Toxoplasma gondii pyruvate kinase PyKII 0.0019 0.0013 0.0016
Echinococcus multilocularis pyruvate kinase 0.0038 0.017 0.0243
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0029 0.0092 0.0333
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0029 0.0092 0.0125
Schistosoma mansoni apoferritin-2 0.0061 0.0366 0.0432
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0877 0.7344 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0789 0.6592 0.6592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Leishmania major trypanothione reductase 0.0311 0.2507 1
Schistosoma mansoni ferritin 0.0061 0.0366 0.0432
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0108 0.0769 0.3043
Schistosoma mansoni zinc finger protein 0.0109 0.0779 0.0926
Brugia malayi Bromodomain containing protein 0.02 0.1556 0.477
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0029 0.0092 0.0333
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0029 0.0092 0.0333
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0029 0.0092 0.0333
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0108 0.0769 0.0769
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0029 0.0092 0.0125
Echinococcus multilocularis pyruvate kinase 0.003 0.0102 0.014
Schistosoma mansoni bromodomain containing protein 0.0337 0.2729 0.3259
Echinococcus granulosus expressed protein 0.0061 0.0366 0.0539
Schistosoma mansoni ferritin light chain 0.0061 0.0366 0.0432
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0029 0.0092 0.0113
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0029 0.0092 0.0113
Mycobacterium tuberculosis Conserved protein 0.0186 0.1436 0.1436
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.017 0.0755
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0029 0.0092 0.0113
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0709 0.5914 0.5914
Schistosoma mansoni ferritin 0.0061 0.0366 0.0432
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0009 0.0034
Plasmodium falciparum pyruvate kinase 0.0038 0.017 0.0677
Loa Loa (eye worm) hypothetical protein 0.0229 0.1809 0.6024
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0052 0.0133
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0031 0.0113 0.0157
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0029 0.0092 0.0333
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Trypanosoma cruzi NADH dehydrogenase, putative 0.0029 0.0092 0.0333
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0029 0.0092 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Schistosoma mansoni cpg binding protein 0.0137 0.1023 0.1218
Treponema pallidum thioredoxin reductase (trxB) 0.0029 0.0092 0.0113
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0052 0.0147
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0122 0.0894 0.1064
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0311 0.2507 0.2507
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.017 0.022
Trypanosoma cruzi trypanothione reductase, putative 0.0311 0.2507 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.017 0.0645
Echinococcus granulosus glutamate synthase 0.0029 0.0092 0.0125
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0029 0.0092 0.0333
Loa Loa (eye worm) CXXC zinc finger family protein 0.0121 0.0879 0.2927
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0108 0.0769 0.1145
Toxoplasma gondii thioredoxin reductase 0.0311 0.2507 1
Trypanosoma cruzi ISWI complex protein 0.008 0.053 0.2086
Loa Loa (eye worm) pyruvate kinase 0.0038 0.017 0.0566
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0029 0.0092 0.0113
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0029 0.0092 0.0366
Brugia malayi glutamate synthase 0.0029 0.0092 0.0256
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0124 0.0912 0.136
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0108 0.0769 0.3067
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0061 0.0366 0.0481
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Loa Loa (eye worm) histone methyltransferase 0.0038 0.0176 0.0586
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Entamoeba histolytica disulphide oxidoreductase, putative 0.0029 0.0092 0.0113
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0187 0.145 0.2172
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0038 0.0176 0.0252
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0108 0.0769 0.3043
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Onchocerca volvulus 0.0033 0.0133 0.0567
Plasmodium vivax pyruvate kinase 2, putative 0.0019 0.0013 0.0051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Mycobacterium ulcerans NADH dehydrogenase Ndh1 0.0029 0.0092 0.0261
Mycobacterium tuberculosis Probable lipase LipE 0.0186 0.1436 0.1436
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.017 0.0645
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Trypanosoma cruzi NADH dehydrogenase, putative 0.0029 0.0092 0.0333
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1436 0.5714
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0029 0.0092 0.0125
Schistosoma mansoni disulfide oxidoreductase 0.0029 0.0092 0.0104
Mycobacterium leprae Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE) 0.0029 0.0092 0.0061
Leishmania major hypothetical protein, conserved 0.0029 0.0092 0.0333
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0108 0.0769 0.2191
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0172
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0029 0.0092 0.0366
Plasmodium vivax SET domain protein, putative 0.0033 0.0133 0.0532
Trichomonas vaginalis penicillin-binding protein, putative 0.0186 0.1436 0.1946
Mycobacterium leprae Probable lipase LipE 0.0186 0.1436 0.2117
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0079 0.0524 0.1589
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0052 0.0172
Loa Loa (eye worm) pyruvate kinase 0.0038 0.017 0.0566
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0187 0.145 0.2172
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0027 0.0081 0.0098
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0029 0.0092 0.0306
Mycobacterium tuberculosis Probable dehydrogenase 0.0709 0.5914 0.5914
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Plasmodium falciparum thioredoxin reductase 0.0108 0.0769 0.3067
Schistosoma mansoni sulfide quinone reductase 0.0029 0.0092 0.0104
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0038 0.0176 0.0252
Leishmania major NADH dehydrogenase, putative 0.0029 0.0092 0.0333
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0029 0.0092 0.0113
Plasmodium falciparum glutathione reductase 0.0311 0.2507 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0124 0.0912 0.136
Toxoplasma gondii selenide, water dikinase 0.0029 0.0092 0.0333
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.017 0.0755
Onchocerca volvulus 0.0247 0.1963 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0108 0.0769 0.3067
Schistosoma mansoni hypothetical protein 0.008 0.053 0.0628
Echinococcus multilocularis dnaJ subfamily B 0.0795 0.6647 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0186 0.1436 0.4784
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Echinococcus granulosus pyruvate kinase 0.0038 0.017 0.0243
Trypanosoma cruzi trypanothione reductase, putative 0.0108 0.0769 0.3043
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0052 0.0059
Mycobacterium tuberculosis Conserved protein 0.0186 0.1436 0.1436
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.0092 0.0333
Echinococcus multilocularis pyruvate kinase 0.0019 0.0013 0.0006
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0072 0.024
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.017 0.017
Plasmodium falciparum glutathione reductase 0.0108 0.0769 0.3067
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0709 0.5914 0.8965
Giardia lamblia Fructose-bisphosphate aldolase 0.0877 0.7344 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0009 0.0025
Brugia malayi Pre-SET motif family protein 0.0218 0.1709 0.5242
Chlamydia trachomatis thioredoxin reductase 0.0029 0.0092 0.1194
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0108 0.0769 0.3043
Mycobacterium ulcerans glutamate synthase subunit beta 0.0029 0.0092 0.0261
Plasmodium vivax glutathione reductase, putative 0.0311 0.2507 1
Treponema pallidum NADH oxidase 0.0108 0.0769 0.1036
Loa Loa (eye worm) pyruvate kinase 0.0038 0.017 0.0566
Schistosoma mansoni bromodomain containing protein 0.0029 0.0097 0.011
Echinococcus multilocularis thioredoxin glutathione reductase 0.0315 0.2543 0.3817
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0052 0.0147
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.017 0.0645
Mycobacterium ulcerans esterase/lipase LipP 0.0186 0.1436 0.4093
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0029 0.0092 0.0125
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0029 0.0092 0.0113
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0108 0.0769 0.3067
Brugia malayi Thioredoxin reductase 0.0311 0.2507 0.7703
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0031 0.0113 0.0157
Schistosoma mansoni ap endonuclease 0.0019 0.0009 0.0005
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0061 0.0366 0.4703
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0031 0.0113 0.0157
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1436 0.1946
Onchocerca volvulus 0.0186 0.1436 0.7284
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0052 0.0172
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0108 0.0769 0.3043
Brugia malayi beta-lactamase family protein 0.0186 0.1436 0.4401
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Trichomonas vaginalis glutathione reductase, putative 0.0108 0.0769 0.1036
Echinococcus granulosus methyl CpG binding domain protein 2 0.0089 0.0608 0.0903
Toxoplasma gondii NADPH-glutathione reductase 0.0108 0.0769 0.3043
Plasmodium vivax ferrodoxin reductase, putative 0.0029 0.0092 0.0366
Brugia malayi beta-lactamase 0.0186 0.1436 0.4401
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0029 0.0092 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Mycobacterium tuberculosis Probable NADPH:adrenodoxin oxidoreductase FprB (adrenodoxin reductase) (AR) (ferredoxin-NADP(+) reductase) 0.0029 0.0092 0.0092
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0108 0.0769 0.2344
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0029 0.0092 0.0113
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0257 0.2045 0.2441
Trypanosoma cruzi hypothetical protein, conserved 0.0029 0.0092 0.0333
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0052 0.0133
Brugia malayi CXXC zinc finger family protein 0.0121 0.0879 0.2683
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Brugia malayi Bromodomain containing protein 0.0398 0.3252 1
Giardia lamblia Glutamate synthase 0.0029 0.0092 0.0113
Mycobacterium tuberculosis NADPH:adrenodoxin oxidoreductase FprA (NADPH-ferredoxin reductase) 0.0029 0.0092 0.0092
Echinococcus granulosus pyruvate kinase 0.0019 0.0013 0.0006
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0029 0.0092 0.1093
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0081 0.0098
Loa Loa (eye worm) thioredoxin reductase 0.0311 0.2507 0.835
Brugia malayi beta-lactamase family protein 0.0186 0.1436 0.4401
Leishmania major hypothetical protein, conserved 0.0186 0.1436 0.5714
Mycobacterium tuberculosis Possible dehydrogenase/reductase 0.0029 0.0092 0.0092
Wolbachia endosymbiont of Brugia malayi thioredoxin reductase 0.0029 0.0092 0.1093
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.017 0.0755
Trichomonas vaginalis helicase, putative 0.0027 0.0081 0.0098
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0186 0.1436 0.1436
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0029 0.0092 0.0333
Plasmodium vivax pyruvate kinase, putative 0.0038 0.017 0.0677
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0052 0.0147
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0052 0.0147
Trypanosoma cruzi ISWI complex protein 0.008 0.053 0.2086
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0052 0.0052
Schistosoma mansoni zinc finger protein 0.008 0.053 0.0628
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0108 0.0769 0.3043
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0029 0.0092 0.0125
Echinococcus multilocularis expressed protein 0.0061 0.0366 0.0539
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0029 0.0092 0.0113
Treponema pallidum fructose-bisphosphate aldolase 0.0877 0.7344 1
Loa Loa (eye worm) bromodomain containing protein 0.0092 0.0635 0.2116
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0089 0.0608 0.0903
Onchocerca volvulus 0.0186 0.1436 0.7284
Mycobacterium leprae PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE) 0.0029 0.0092 0.0061
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0009 0.0029
Trypanosoma brucei hypothetical protein, conserved 0.0186 0.1436 0.5714
Schistosoma mansoni myst-related protein 0.0024 0.0054 0.0059
Plasmodium falciparum ferrodoxin reductase-like protein 0.0029 0.0092 0.0366
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0029 0.0092 0.0125
Schistosoma mansoni glutamate synthase 0.0029 0.0092 0.0104
Plasmodium vivax hypothetical protein, conserved 0.0186 0.1436 0.5729
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1436 0.5714
Leishmania major pyruvate kinase 0.0038 0.017 0.0645
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.017 0.0645
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0052 0.0172
Echinococcus granulosus thioredoxin glutathione reductase 0.0315 0.2543 0.3817
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0318 0.257 0.3858
Onchocerca volvulus 0.0121 0.0879 0.441
Echinococcus granulosus zinc finger protein 0.0109 0.0779 0.1161
Echinococcus granulosus histone lysine methyltransferase setb 0.0122 0.0894 0.1334
Schistosoma mansoni hypothetical protein 0.0029 0.0092 0.0104
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0428 0.3509 0.5287
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0029 0.0092 0.0333
Trichomonas vaginalis esterase, putative 0.0186 0.1436 0.1946
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0029 0.0092 0.0256
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Loa Loa (eye worm) beta-lactamase 0.0186 0.1436 0.4784
Echinococcus multilocularis zinc finger protein 0.0109 0.0779 0.1161
Mycobacterium ulcerans NADPH dependent 2,4-dienoyl-CoA reductase FadH 0.0029 0.0092 0.0261
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprB 0.0029 0.0092 0.0261
Echinococcus multilocularis pyruvate kinase 0.0019 0.0013 0.0006
Schistosoma mansoni ap endonuclease 0.0019 0.0009 0.0005
Entamoeba histolytica thioredoxin reductase, putative 0.0029 0.0092 0.0113
Mycobacterium ulcerans hypothetical protein 0.0186 0.1436 0.4093
Echinococcus multilocularis cpg binding protein 0.0137 0.1023 0.1528
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0186 0.1436 0.1436
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0108 0.0769 0.0914
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0029 0.0092 0.0125
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0428 0.3509 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0108 0.0769 0.2191
Schistosoma mansoni apoferritin-2 0.0061 0.0366 0.0432
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1436 0.1946
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0052 0.0052
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0108 0.0769 0.2191
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0709 0.5914 0.5914
Trypanosoma brucei pyruvate kinase 1 0.0038 0.017 0.0645
Brugia malayi SET domain containing protein 0.0021 0.0023 0.0046
Trichomonas vaginalis set domain proteins, putative 0.0247 0.1963 0.2664
Schistosoma mansoni ferritin light chain 0.0061 0.0366 0.0432
Loa Loa (eye worm) hypothetical protein 0.0038 0.017 0.0566
Trichomonas vaginalis penicillin-binding protein, putative 0.0186 0.1436 0.1946
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0877 0.7344 1
Mycobacterium ulcerans bacterioferritin BfrA 0.0061 0.0366 0.1043
Schistosoma mansoni hypothetical protein 0.0108 0.0768 0.0913
Trichomonas vaginalis ferritin, putative 0.0061 0.0366 0.0487
Schistosoma mansoni glutamate synthase 0.0029 0.0092 0.0104
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.024
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0029 0.0092 0.0113
Echinococcus granulosus dnaJ subfamily B 0.0795 0.6647 1
Mycobacterium ulcerans NADPH:adrenodoxin oxidoreductase FprA 0.0029 0.0092 0.0261
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0133 0.0154
Loa Loa (eye worm) PHD-finger family protein 0.0108 0.0768 0.2557
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0108 0.0769 1
Echinococcus multilocularis glutamate synthase 0.0029 0.0092 0.0125
Mycobacterium tuberculosis Probable lipase LipD 0.0186 0.1436 0.1436
Leishmania major hypothetical protein, conserved 0.0029 0.0092 0.0333
Echinococcus multilocularis ferritin 0.0061 0.0366 0.0539
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0029 0.0092 0.0113
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0133 0.0188
Mycobacterium tuberculosis Probable oxidoreductase 0.0789 0.6592 0.6592
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0029 0.0092 0.0333
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0052 0.0059
Brugia malayi Pre-SET motif family protein 0.0033 0.0133 0.0385
Mycobacterium tuberculosis Probable NADPH dependent 2,4-dienoyl-CoA reductase FadH (2,4-dienoyl coenzyme A reductase) (4-enoyl-CoA reductase) 0.0029 0.0092 0.0092
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0877 0.7344 1
Schistosoma mansoni ferritin 0.0061 0.0366 0.0432
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0124 0.0912 0.1085
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0031 0.0113 0.013
Treponema pallidum bacterioferrin (TpF1) 0.0061 0.0366 0.0487
Mycobacterium tuberculosis Probable reductase 0.0709 0.5914 0.5914
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.0072 0.0087
Schistosoma mansoni myst-related protein 0.0024 0.0054 0.0059
Mycobacterium ulcerans NADH dehydrogenase Ndh 0.0029 0.0092 0.0261
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0108 0.0769 0.3043
Loa Loa (eye worm) hypothetical protein 0.0369 0.3002 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0009 0.0009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0122 0.0894 0.1334
Echinococcus multilocularis beta LACTamase domain containing family member 0.0186 0.1436 0.2151
Mycobacterium ulcerans ferredoxin reductase 0.0029 0.0092 0.0261
Schistosoma mansoni glutamate synthase 0.0029 0.0092 0.0104
Echinococcus granulosus pyruvate kinase 0.0038 0.017 0.0243
Leishmania major pyruvate kinase 0.0038 0.017 0.0645
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0108 0.0769 0.3043
Mycobacterium ulcerans dehydrogenase 0.0029 0.0092 0.0261
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0101 0.0139
Echinococcus granulosus cpg binding protein 0.0137 0.1023 0.1528
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1436 0.1946
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0029 0.0092 0.0333
Loa Loa (eye worm) hypothetical protein 0.0186 0.1436 0.4784
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0029 0.0092 0.0333
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0108 0.0769 0.3067
Mycobacterium ulcerans NADH dehydrogenase 0.0029 0.0092 0.0261
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0079 0.0524 0.1589
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0027 0.0081 0.0098
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0428 0.3509 0.3509
Trypanosoma brucei ISWI complex protein 0.008 0.053 0.2086
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.017 0.0497
Loa Loa (eye worm) hypothetical protein 0.0029 0.0092 0.0306
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0029 0.0092 0.0333
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0318 0.257 0.3858
Schistosoma mansoni methyl-cpg binding protein mbd 0.0089 0.0608 0.0721
Brugia malayi PHD-finger family protein 0.0137 0.1017 0.311

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 200 uM Inhibitory activity against rat hepatic squalene synthase ChEMBL. No reference
IC50 (binding) = 200 uM Inhibitory activity against rat hepatic squalene synthase ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.