Detailed information for compound 597898

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 894.879 | Formula: C46H47F5N4O9
  • H donors: 4 H acceptors: 8 LogP: 3.33 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]([C@@H](C(=O)O)O)C(=O)O.O=C(N(C1CCN(CC1)C1CCOCC1)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)Cn1c(CCc2cccc(c2F)F)nc(=O)c2c1cccc2
  • InChi: 1S/C42H41F5N4O3.C4H6O6/c43-36-6-3-4-31(40(36)44)14-17-38-48-41(53)35-5-1-2-7-37(35)51(38)27-39(52)50(34-18-22-49(23-19-34)33-20-24-54-25-21-33)26-28-8-10-29(11-9-28)30-12-15-32(16-13-30)42(45,46)47;5-1(3(7)8)2(6)4(9)10/h1-13,15-16,33-34H,14,17-27H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
  • InChiKey: RATQPMTXYBKSEE-LREBCSMRSA-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
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.0579 0.2
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0193 0.6412 0.8918
Trypanosoma brucei glucosidase, putative 0.0036 0.0829 0.1358
Echinococcus multilocularis chromobox protein 1 0.0068 0.1972 0.3135
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.4647 0.6284
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0193 0.6412 0.8874
Schistosoma mansoni hypothetical protein 0.0166 0.5464 0.5921
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0184 0.6102 1
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.187 0.1857
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0637 0.0916
Schistosoma mansoni chromobox protein 0.0068 0.1972 0.2077
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0901 0.0886
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0401 0.0423
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1588 0.2583
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.021 0.0317
Onchocerca volvulus 0.0238 0.8016 1
Loa Loa (eye worm) thioredoxin reductase 0.0084 0.2549 0.2789
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.1815 0.2956
Onchocerca volvulus 0.0095 0.2909 0.3615
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0829 0.0814
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0029 0.0579 0.0476
Brugia malayi chromobox protein homolog 3 0.0038 0.0901 0.0974
Entamoeba histolytica protein kinase domain containing protein 0.0184 0.6102 0.6096
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2869 0.4626
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.0579 0.2
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.0579 0.0619
Trypanosoma brucei trypanothione reductase 0.0084 0.2549 0.4178
Trichomonas vaginalis rotamase, putative 0.0065 0.187 0.1857
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.024 0.0625
Loa Loa (eye worm) hypothetical protein 0.0017 0.0153 0.0151
Toxoplasma gondii thioredoxin reductase 0.0084 0.2549 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.0579 0.2
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0086 0.0142
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.0579 0.2
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 0.0401 0.1278
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0153 0.0272
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0024 0.0401 0.0385
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0819
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0234
Loa Loa (eye worm) hypothetical protein 0.0017 0.0153 0.0151
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0363 0.0569
Echinococcus granulosus dna polymerase kappa 0.0019 0.021 0.0205
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0064 0.1815 0.2956
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0637 0.0684
Brugia malayi Pre-SET motif family protein 0.0209 0.6987 0.7674
Schistosoma mansoni hypothetical protein 0.002 0.024 0.0169
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.5368 0.878
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0184 0.6102 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1972 0.1959
Schistosoma mansoni hypothetical protein 0.0166 0.5464 0.5921
Onchocerca volvulus 0.002 0.024 0.028
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1972 0.1959
Brugia malayi Thioredoxin reductase 0.0084 0.2549 0.2789
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.012 0.0047
Echinococcus granulosus geminin 0.0166 0.5464 0.8939
Echinococcus granulosus GPCR family 2 0.0031 0.0637 0.0916
Loa Loa (eye worm) hypothetical protein 0.0148 0.4815 0.5283
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0363 0.0234
Loa Loa (eye worm) hypothetical protein 0.0038 0.0901 0.0974
Echinococcus multilocularis expressed protein 0.0065 0.187 0.2965
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.6102 0.6624
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1588 0.1604
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0637 0.0916
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1588 0.1731
Echinococcus multilocularis dna polymerase kappa 0.0019 0.021 0.0205
Echinococcus multilocularis RUN 0.002 0.024 0.0256
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.5368 0.5892
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.021 0.0136
Brugia malayi hypothetical protein 0.002 0.024 0.0246
Brugia malayi Protein kinase domain containing protein 0.0184 0.6102 0.67
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0363 0.039
Loa Loa (eye worm) hypothetical protein 0.0067 0.1918 0.2093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0153 0.0151
Schistosoma mansoni alpha-glucosidase 0.0141 0.4556 0.4922
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1005 0.099
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0829 0.0814
Schistosoma mansoni hypothetical protein 0.0031 0.0637 0.0607
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0564 0.0794
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1202 0.1188
Plasmodium falciparum glutathione reductase 0.0029 0.0579 0.2
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1588 0.2497
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0603 0.0859
Trichomonas vaginalis rotamase, putative 0.0064 0.1815 0.1802
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0603 0.2098
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.021 0.0136
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0084 0.2549 0.4162
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2869 0.4688
Mycobacterium tuberculosis Probable oxidoreductase 0.0214 0.718 1
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 0.0401 0.0523
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0829 0.0814
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.021 0.0063
Schistosoma mansoni glutaminase 0.0268 0.91 0.9925
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0637 0.0916
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6987 0.7674
Loa Loa (eye worm) hypothetical protein 0.0019 0.021 0.0213
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1588 0.1604
Brugia malayi Pre-SET motif family protein 0.003 0.0603 0.0646
Loa Loa (eye worm) hypothetical protein 0.003 0.0603 0.0646
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0603 0.0569
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.024 0.0256
Echinococcus granulosus intestinal type alkaline phosphatase 0.0163 0.5357 0.8762
Plasmodium vivax thioredoxin reductase, putative 0.0084 0.2549 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Loa Loa (eye worm) glutaminase 0.0268 0.91 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.021 0.0317
Leishmania major T-complex protein 1, beta subunit, putative 0.0024 0.0401 0.0632
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2869 0.3064
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.5368 0.878
Echinococcus granulosus expressed protein 0.0065 0.187 0.2965
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0086 0.0142
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1918 0.2093
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2869 0.3141
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0637 0.0916
Treponema pallidum fructose-bisphosphate aldolase 0.0293 1 1
Echinococcus granulosus chromobox protein 1 0.0068 0.1972 0.3135
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Loa Loa (eye worm) hypothetical protein 0.0017 0.0153 0.0151
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0829 0.0814
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.1202 0.1188
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0193 0.6412 0.8918
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2869 0.4688
Schistosoma mansoni hypothetical protein 0.0031 0.0637 0.0607
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.012 0.0047
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0363 0.0347
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0819
Schistosoma mansoni kinase 0.0048 0.1246 0.1277
Schistosoma mansoni lipoxygenase 0.002 0.024 0.0169
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0829 0.0814
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0401 0.0347
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0579 0.0925
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.021 0.0213
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0086 0.0115
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0579 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.024 0.0625
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.002 0.0245 0.0642
Brugia malayi hypothetical protein 0.002 0.024 0.0246
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2869 0.4626
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Loa Loa (eye worm) hypothetical protein 0.0183 0.6057 0.6651
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 0.0401 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0829 0.1335
Loa Loa (eye worm) glutathione reductase 0.0084 0.2549 0.2789
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0829 0.1335
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0603 0.0859
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Onchocerca volvulus 0.002 0.024 0.028
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.021 0.0063
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0579 0.2
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0579 0.0949
Schistosoma mansoni alpha glucosidase 0.0036 0.0829 0.0818
Loa Loa (eye worm) hypothetical protein 0.003 0.0606 0.0649
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.4647 0.6429
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0086 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Mycobacterium ulcerans glutaminase 0.0268 0.91 1
Plasmodium falciparum glutathione reductase 0.0084 0.2549 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0637 0.0684
Schistosoma mansoni hypothetical protein 0.0067 0.1918 0.2017
Onchocerca volvulus 0.0041 0.1002 0.1232
Brugia malayi glutathione reductase 0.0084 0.2549 0.2789
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1972 0.2153
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0163 0.5357 0.8762
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.1005 0.1235
Loa Loa (eye worm) hypothetical protein 0.002 0.024 0.0246
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.1511 0.2368
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0381
Echinococcus granulosus RUN 0.002 0.024 0.0256
Brugia malayi isocitrate dehydrogenase 0.0015 0.0086 0.0077
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0016 0.0027
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0579 0.0925
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0086 0.0115
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.5368 0.878
Plasmodium falciparum thioredoxin reductase 0.0084 0.2549 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0193 0.6412 0.8918
Schistosoma mansoni rab6-interacting 0.002 0.024 0.0169
Plasmodium vivax SET domain protein, putative 0.003 0.0603 0.2098
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0086 0.0077
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2869 0.3566
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0476
Loa Loa (eye worm) glutaminase 2 0.0268 0.91 1
Echinococcus granulosus dual specificity 0.0184 0.6102 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Mycobacterium ulcerans hypothetical protein 0.0023 0.0363 0.0234
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0153 0.0272
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0245 0.0401
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0829 0.0814
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2869 0.4688
Trypanosoma brucei unspecified product 0.0019 0.021 0.0343
Trichomonas vaginalis chaperonin, putative 0.0024 0.0401 0.0385
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0163 0.5357 0.8762
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0829 0.0814
Loa Loa (eye worm) doublecortin family protein 0.002 0.024 0.0246
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.0579 0.0925
Echinococcus multilocularis chromobox protein 1 0.0068 0.1972 0.3135
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.002 0.0245 0.0375
Echinococcus multilocularis dual specificity 0.0184 0.6102 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0603 0.0859
Giardia lamblia Kinase, PLK 0.0093 0.2869 0.2717
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0064 0.1815 0.2975
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0184 0.6102 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0363 0.0569
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Brugia malayi T-complex protein 1, beta subunit 0.0024 0.0401 0.0423
Onchocerca volvulus 0.0023 0.0363 0.0433
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0579 0.0949
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.1002 0.1008
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.021 0.0343
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0502 0.0486
Onchocerca volvulus 0.003 0.0606 0.0737
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0064 0.1815 0.1802
Loa Loa (eye worm) T-complex protein 1 0.0024 0.0401 0.0423
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.021 0.0205
Trichomonas vaginalis glutaminase, putative 0.0268 0.91 0.9098
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0024 0.0401 0.1278
Leishmania major trypanothione reductase 0.0084 0.2549 0.4162
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.012 0.0047
Echinococcus multilocularis geminin 0.0166 0.5464 0.8939
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1588 0.2118
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0245 0.0375
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0401 0.0347
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0579 0.2
Echinococcus granulosus thioredoxin glutathione reductase 0.0085 0.2567 0.4124
Toxoplasma gondii t-complex protein beta subunit 0.0024 0.0401 0.1278
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0829 0.0894
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0363 0.0234
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0829 0.1234
Echinococcus multilocularis thioredoxin glutathione reductase 0.0085 0.2567 0.4124
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0163 0.5357 0.8762
Plasmodium falciparum thioredoxin reductase 0.0029 0.0579 0.2
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.021 0.0213
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.021 0.0317
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0065 0.187 0.2041
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0381
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Mycobacterium tuberculosis Probable dehydrogenase 0.0193 0.6412 0.8918
Schistosoma mansoni alkaline phosphatase 0.0163 0.5357 0.5804
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.145 0.1578
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0024 0.0401 0.0632
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.002 0.0245 0.0375
Leishmania major DNA polymerase kappa, putative 0.0019 0.021 0.0317
Entamoeba histolytica protein kinase, putative 0.0184 0.6102 0.6096
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0363 0.0381
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0579 0.0925
Schistosoma mansoni hypothetical protein 0.0085 0.256 0.2724
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0901 0.0886
Loa Loa (eye worm) hypothetical protein 0.0023 0.0363 0.0381
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0163 0.5357 0.8762
Trichomonas vaginalis mercuric reductase, putative 0.0029 0.0579 0.0564
Schistosoma mansoni polycystin 1-related 0.002 0.024 0.0169
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.021 0.0213
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.4647 0.5023
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0829 0.0894
Schistosoma mansoni alpha-glucosidase 0.0141 0.4556 0.4922
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0829 0.0814
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0193 0.6412 0.8918
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0214 0.718 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.3021 0.3308
Schistosoma mansoni hypothetical protein 0.0031 0.0637 0.0607
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.021 0.0317
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.024 0.0246
Schistosoma mansoni lipoxygenase 0.0055 0.1511 0.1569
Schistosoma mansoni rab6-interacting 0.002 0.024 0.0169
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0084 0.2549 0.3472
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0214 0.718 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0543
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0901 0.1106
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0829 0.0814
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Schistosoma mansoni alkaline phosphatase 0.0163 0.5357 0.5804
Loa Loa (eye worm) hypothetical protein 0.0031 0.0637 0.0684
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2869 0.3141
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1588 0.1654
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0363 0.039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0603 0.0569
Brugia malayi Doublecortin family protein 0.002 0.024 0.0246
Plasmodium vivax glutathione reductase, putative 0.0084 0.2549 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.1511 0.2368
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0184 0.6102 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0829 0.3014
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0363 0.0569
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0086 0.0115
Echinococcus multilocularis dna polymerase eta 0.0019 0.021 0.0205
Mycobacterium tuberculosis Probable reductase 0.0193 0.6412 0.8918
Trichomonas vaginalis glutathione reductase, putative 0.0029 0.0579 0.0564
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0829 0.1234
Echinococcus granulosus alkaline phosphatase 0.0163 0.5357 0.8762
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0949
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.021 0.0193
Schistosoma mansoni loxhd1 0.002 0.024 0.0169
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0234
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0579 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1588 0.2497
Echinococcus multilocularis GPCR, family 2 0.0031 0.0637 0.0916
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.024 0.0256
Schistosoma mansoni rotamase 0.0065 0.187 0.1964
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0603 0.0569
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0214 0.718 1
Leishmania major DNA polymerase eta, putative 0.0019 0.021 0.0317
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.021 0.0174
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0363 0.0234
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0363 0.0381
Entamoeba histolytica hypothetical protein 0.0184 0.6102 0.6096
Trichomonas vaginalis chromobox protein, putative 0.0041 0.1005 0.099
Trypanosoma brucei polo-like protein kinase 0.0093 0.2869 0.4702
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.021 0.0317
Schistosoma mansoni hypothetical protein 0.0031 0.0637 0.0607
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.0579 0.0695
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0064 0.1815 0.2956
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.021 0.0174
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0363 0.0347
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0579 0.0949
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.024 0.0256
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0163 0.5357 0.8762
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Echinococcus granulosus chromobox protein 1 0.0068 0.1972 0.3135
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0579 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.024 0.0256
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 0.0401 0.0523
Giardia lamblia TCP-1 chaperonin subunit beta 0.0024 0.0401 0.0196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.021 0.0193
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0829 0.1335
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0363 0.0381
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.024 0.0256
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.012 0.0047
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0022 0.0302 0.0314
Entamoeba histolytica protein kinase, putative 0.0184 0.6102 0.6096
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0363 0.0347
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.5368 0.5892
Toxoplasma gondii peptidylprolyl isomerase 0.0064 0.1815 0.7019
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.021 0.0205
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.3021 0.3308
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0829 0.0814
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.021 0.0343
Brugia malayi glutaminase DH11.1 0.0268 0.91 1
Echinococcus multilocularis alkaline phosphatase 0.0163 0.5357 0.8762
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0579 0.0377
Schistosoma mansoni chromobox protein 0.0068 0.1972 0.2077
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.021 0.0317
Brugia malayi Heterochromatin protein 1 0.0068 0.1972 0.2153
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.021 0.0343
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.021 0.0343
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0579 0.0925
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0022 0.0302 0.0314
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0029 0.0579 0.0476
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0153 0.0094
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0502 0.0486
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0024 0.0401 0.0657
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.0579 0.0925
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.024 0.0256
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0363 0.0234
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0184 0.6102 0.67
Echinococcus granulosus dna polymerase eta 0.0019 0.021 0.0205
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.021 0.0193
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2869 0.2857
Brugia malayi hypothetical protein 0.0148 0.4815 0.5283
Onchocerca volvulus 0.0148 0.4815 0.5998
Loa Loa (eye worm) hypothetical protein 0.0183 0.6057 0.6651
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.3021 0.3308
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 0.0401 0.0347
Schistosoma mansoni DNA polymerase eta 0.0019 0.021 0.0136
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2869 0.2857
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.3021 0.3308
Trichomonas vaginalis set domain proteins, putative 0.0238 0.8016 0.8013
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0829 0.0814
Loa Loa (eye worm) hypothetical protein 0.0017 0.0153 0.0151
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.021 0.0343
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0065 0.187 0.2041
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0363 0.0234
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0637 0.0684

Activities

Activity type Activity value Assay description Source Reference
Inhibition frequency index (IFI) (functional) = 12.05 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 76 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 101 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.13 XC50 determination of P. falciparum 3D7 growth GSK. 20485427

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

1 literature reference was collected for this gene.

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