Detailed information for compound 596771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.326 | Formula: C20H22BrN5O
  • H donors: 2 H acceptors: 0 LogP: 3.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1=NC(N(C(=N1)N)OCc1cccc2c1ccc1c2cccc1)(C)C.Br
  • InChi: 1S/C20H21N5O.BrH/c1-20(2)24-18(21)23-19(22)25(20)26-12-14-7-5-9-17-15-8-4-3-6-13(15)10-11-16(14)17;/h3-11H,12H2,1-2H3,(H4,21,22,23,24);1H
  • InChiKey: MHEHSCYTDBIQGZ-UHFFFAOYSA-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 cadherin EGF LAG seven pass G type receptor 0.0016 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.004 0.0209 0.2127
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0064 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0219 0.219
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0066 0.0083
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0031 0.0148 0.2522
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0064 0.0358 0.058
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.0358 0.058
Toxoplasma gondii heat shock protein 90, putative 0.0046 0.0246 0.0389
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0578 0.5871
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0103 0.0147
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0583
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0219 0.2223
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0356 0.362
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0054 0.1087
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.0358 0.366
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0948 0.5892 1
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Trypanosoma cruzi heat shock protein 90, putative 0.0019 0.0077 0.176
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0168 0.1661
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0064 0.0358 0.058
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0038 0.0611
Echinococcus multilocularis protein patched 0.0042 0.0219 0.0219
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0075 0.1048
Brugia malayi heat shock protein 90 0.0046 0.0246 0.2477
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0103 0.0084
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0064 0.0358 1
Echinococcus granulosus heat shock protein 0.0046 0.0246 0.2495
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0064 0.0358 0.3638
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0133 0.1288
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0054 0.0456
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.0961 1
Brugia malayi hypothetical protein 0.001 0.0017 0.0075
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0948 0.5892 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0039 0.0304
Brugia malayi CHE-14 protein 0.0042 0.0219 0.2195
Toxoplasma gondii heat shock protein HSP90 0.0046 0.0246 0.0389
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0039 0.0396
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0103 0.0982
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0179 0.0275
Echinococcus multilocularis GPCR, family 2 0.0016 0.0054 0.0054
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Schistosoma mansoni hypothetical protein 0.0016 0.0054 0.055
Schistosoma mansoni heat shock protein 0.0046 0.0246 0.2495
Plasmodium vivax endoplasmin, putative 0.0046 0.0246 0.0389
Echinococcus multilocularis G protein coupled receptor 139 0.0164 0.0984 0.0984
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.0358 0.052
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0031 0.0148 0.2379
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0103 0.0982
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0054 0.1087
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0075 0.0762
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0064 0.0358 0.058
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Schistosoma mansoni hypothetical protein 0.0016 0.0054 0.055
Schistosoma mansoni heat shock protein 0.0046 0.0246 0.2495
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Mycobacterium tuberculosis Possible oxidoreductase 0.0064 0.0358 0.052
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0017 0.0075
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0043 0.0228 0.0358
Toxoplasma gondii heat shock protein 75, putative 0.0031 0.0148 0.0223
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0054 0.0063
Plasmodium falciparum endoplasmin, putative 0.0034 0.0166 0.0253
Plasmodium vivax heat shock protein 86, putative 0.0046 0.0246 0.0389
Entamoeba histolytica hypothetical protein 0.0071 0.0402 0.6975
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0402 0.4081
Schistosoma mansoni hypothetical protein 0.004 0.0209 0.2127
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0039 0.0037
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0103 0.0147
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0064 0.0358 0.052
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Schistosoma mansoni topbp1 0.001 0.0017 0.0175
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0179 0.1776
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0054 0.0054
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Trypanosoma cruzi heat shock protein 85, putative 0.004 0.0204 0.5471
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0948 0.5892 1
Brugia malayi Hsp90 protein 0.0031 0.0148 0.1454
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0064 0.0358 0.058
Schistosoma mansoni hypothetical protein 0.0016 0.0054 0.055
Schistosoma mansoni hypothetical protein 0.0071 0.0402 0.4081
Schistosoma mansoni dihydropteridine reductase 0.0064 0.0358 0.3638
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0064 0.0358 0.052
Echinococcus multilocularis cpg binding protein 0.003 0.0143 0.0143
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0011 0.011
Trypanosoma brucei heat shock protein 84, putative 0.0031 0.0148 0.3847
Loa Loa (eye worm) RNA binding protein 0.0064 0.0356 0.3637
Loa Loa (eye worm) hypothetical protein 0.0016 0.0054 0.0456
Loa Loa (eye worm) hypothetical protein 0.0098 0.0568 0.5869
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0075 0.0098
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0054 0.055
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0064 0.0358 0.6184
Leishmania major DNA polymerase eta, putative 0.0019 0.0075 0.1128
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0103 0.0147
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0013 0.0039 0.0419
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0356 0.362
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.0358 0.058
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0124 0.0182
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Loa Loa (eye worm) hypothetical protein 0.0024 0.0103 0.0976
Loa Loa (eye worm) hypothetical protein 0.0064 0.0358 0.3655
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0332 0.337
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0075 0.0676
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0075 0.0036
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0568 0.5775
Echinococcus multilocularis heat shock protein 90 0.004 0.0204 0.0204
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0179 0.1818
Entamoeba histolytica hypothetical protein 0.0071 0.0402 0.6975
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Echinococcus multilocularis expressed conserved protein 0.0092 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0024 0.0103 0.0976
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0066 0.0083
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.0358 0.058
Trypanosoma brucei unspecified product 0.0019 0.0075 0.1695
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0356 0.0356
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0039 0.0037
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0075 0.0683
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0948 0.5892 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0292 0.0467
Plasmodium falciparum heat shock protein 90 0.0046 0.0246 0.0389
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0246 0.6699
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0064 0.0358 0.366
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0246 0.6699
Schistosoma mansoni hypothetical protein 0.0016 0.0054 0.055
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0039 0.0037
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0103 0.1565
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0039 0.0037
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0075 0.1695
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Echinococcus multilocularis neuropeptide receptor 0.0164 0.0984 0.0984
Chlamydia trachomatis oxoacy-ACP reductase 0.0064 0.0358 0.058
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0043 0.0228 0.5915
Plasmodium falciparum enoyl-acyl carrier reductase 0.0948 0.5892 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 0.0275
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0064 0.0358 0.058
Echinococcus granulosus endoplasmin 0.0043 0.0228 0.2314
Loa Loa (eye worm) endoplasmin 0.0046 0.0246 0.2471
Trypanosoma brucei unspecified product 0.0013 0.0038 0.0611
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0831 0.8445
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 0.0275
Schistosoma mansoni endoplasmin 0.0046 0.0246 0.2495
Brugia malayi hypothetical protein 0.001 0.0017 0.0075
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0568 0.0568
Plasmodium vivax heat shock protein, putative 0.0175 0.1053 0.1763
Echinococcus multilocularis heat shock protein 90 0.0046 0.0246 0.0246
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0228 0.0358
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0246 0.4142
Echinococcus granulosus heat shock protein 90 0.0046 0.0246 0.2495
Loa Loa (eye worm) heat shock protein 75 0.0031 0.0148 0.1448
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0075 0.0762
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0064 0.0358 0.052
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0064 0.0358 1
Onchocerca volvulus 0.0064 0.0358 0.6556
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0017 0.0000005861
Onchocerca volvulus 0.0024 0.0103 0.1659
Brugia malayi DKFZp564C0469 protein 0.001 0.0017 0.0075
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0179 0.4386
Giardia lamblia Heat shock protein HSP 90-alpha 0.004 0.0204 0.8168
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0103 0.0147
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0075 0.0762
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0568 0.5873
Loa Loa (eye worm) hypothetical protein 0.0051 0.0278 0.2812
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0017 0.0000005861
Onchocerca volvulus 0.0064 0.0358 0.6556
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0064 0.0358 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0043 0.0228 0.0297
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.0961 0.9761
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0038 0.0611
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0038 0.0611
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0103 0.0147
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0054 0.0054
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0039 0.064
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0179 0.0275
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0075 0.0683
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0948 0.5892 1
Treponema pallidum heat shock protein 90 0.0043 0.0228 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Plasmodium vivax heat shock protein 90, putative 0.0031 0.0148 0.0223
Trichomonas vaginalis endoplasmin, putative 0.0034 0.0166 0.0253
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0049 0.0266 0.2687
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0103 0.0147
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0075 0.1695
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0103 0.202
Schistosoma mansoni hypothetical protein 0.0034 0.0168 0.1707
Loa Loa (eye worm) heat shock protein 90 0.0046 0.0246 0.2471
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0064 0.0358 0.058
Echinococcus granulosus expressed conserved protein 0.0092 0.0531 0.5397
Trypanosoma cruzi Heat shock protein 83, putative 0.0046 0.0246 0.6699
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0179 0.4745
Echinococcus granulosus cpg binding protein 0.003 0.0143 0.1455
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0075 0.0075
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0568 1
Trypanosoma cruzi heat shock protein 90, putative 0.0046 0.0246 0.6699
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0031 0.0148 0.1507
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0054 0.0458
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0266 0.2693
Echinococcus granulosus GPCR family 2 0.0016 0.0054 0.055
Echinococcus granulosus tar DNA binding protein 0.0064 0.0356 0.362
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0103 0.0147
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0054 0.0054
Mycobacterium leprae POSSIBLE OXIDOREDUCTASE 0.0064 0.0358 0.058
Leishmania major heat shock protein, putative 0.0031 0.0148 0.3427
Loa Loa (eye worm) oxidoreductase 0.0064 0.0358 0.3655
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0075 0.1695
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0039 0.0037
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0039 0.064
Schistosoma mansoni heat shock protein 0.0031 0.0148 0.1507
Plasmodium falciparum heat shock protein 90, putative 0.0027 0.0124 0.0182
Trypanosoma brucei heat shock protein 90, putative 0.0046 0.0246 0.6699
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0179 0.0275
Echinococcus granulosus dna polymerase kappa 0.0019 0.0075 0.0762
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0075 0.1128
Trichomonas vaginalis heat shock protein, putative 0.004 0.0204 0.0317
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0054 0.0054
Trypanosoma brucei unspecified product 0.0013 0.0038 0.0611
Schistosoma mansoni alpha-glucosidase 0.0138 0.0821 0.834
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0066 0.0083
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0179 0.177
Brugia malayi RNA binding protein 0.0064 0.0356 0.3641
Echinococcus granulosus dna polymerase eta 0.0019 0.0075 0.0762
Entamoeba histolytica hypothetical protein 0.0071 0.0402 0.6975
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0075 0.0036
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0831 0.0831
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.0358 0.058
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0103 0.0147
Mycobacterium ulcerans heat shock protein 90 0.0043 0.0228 0.0358
Echinococcus granulosus neuropeptide receptor 0.0164 0.0984 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0017 0.0068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0266 0.2693
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0948 0.5892 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.004 0.0204 0.207
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0064 0.0358 0.3638
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0219 0.0343
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0039 0.0037
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0054 0.0063
Brugia malayi isocitrate dehydrogenase 0.0016 0.0054 0.0465
Brugia malayi topoisomerase 0.001 0.0017 0.0075
Schistosoma mansoni topbp1 0.001 0.0017 0.0175
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.0961 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0054 0.0054
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 0.0275
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0583
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Echinococcus multilocularis dna polymerase eta 0.0019 0.0075 0.0075
Trypanosoma brucei Heat shock protein 83, putative 0.0046 0.0246 0.6699
Schistosoma mansoni patched 1 0.0042 0.0219 0.2223
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Leishmania major oxidoreductase-like protein 0.0064 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0039 0.0297
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0064 0.0358 0.058
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0054 0.0465
Trypanosoma cruzi heat shock protein, putative 0.0031 0.0148 0.3847
Echinococcus granulosus replication factor c subunit 1 0.001 0.0017 0.0175
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Leishmania major pteridine reductase 1 0.0064 0.0358 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0054 0.0551
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0017 0.0017
Mycobacterium ulcerans hypothetical protein 0.0024 0.0103 0.0147
Trypanosoma cruzi heat shock protein 90, putative 0.004 0.0204 0.5471
Mycobacterium tuberculosis Probable oxidoreductase 0.0064 0.0358 0.052
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0054 0.0063
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0075 0.1695
Schistosoma mansoni hypothetical protein 0.004 0.0209 0.2127
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.0358 0.052
Echinococcus multilocularis heat shock protein 0.0046 0.0246 0.0246
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0064 0.0358 0.058
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0246 0.6699
Echinococcus multilocularis nibrin 0.001 0.0017 0.0017
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0356 0.3637
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0103 0.1565
Trypanosoma brucei oxidoreductase-like protein 0.0064 0.0358 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0017 0.0000062482
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0103 0.0982
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0039 0.064
Brugia malayi CXXC zinc finger family protein 0.0028 0.0133 0.1294
Toxoplasma gondii Hsp90 domain-containing protein 0.0175 0.1053 0.1763
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0356 0.3637
Brugia malayi TAR-binding protein 0.0064 0.0356 0.3641
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.0358 0.3655
Schistosoma mansoni alpha glucosidase 0.0036 0.0179 0.1818
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0054 0.0063
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0054 0.055
Mycobacterium tuberculosis Possible oxidoreductase 0.0064 0.0358 0.052
Mycobacterium ulcerans oxidoreductase 0.0064 0.0358 0.058
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 0.0275
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0054 0.1087
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0166 0.0253
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0103 0.1565
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0075 0.0098
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0011
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0017 0.0000005861
Trichomonas vaginalis heat shock protein, putative 0.0046 0.0246 0.0389
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Loa Loa (eye worm) hypothetical protein 0.0024 0.0103 0.0976
Entamoeba histolytica heat shock protein 90, putative 0.0046 0.0246 0.4142
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Giardia lamblia DINP protein human, muc B family 0.0019 0.0075 0.2531
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0064 0.0358 0.058
Trichomonas vaginalis hypothetical protein 0.0948 0.5892 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0583
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0075 0.0075
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0219 0.2223
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0356 0.362
Schistosoma mansoni cpg binding protein 0.003 0.0143 0.1455
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0064 0.0358 0.058
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0219 0.0219
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0948 0.5892 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0961 0.0961
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0402 0.4081
Plasmodium falciparum heat shock protein 90, putative 0.0175 0.1053 0.1763
Trichomonas vaginalis heat shock protein, putative 0.0043 0.0228 0.0358
Giardia lamblia Heat shock protein HSP 90-alpha 0.0046 0.0246 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0054 0.1087
Schistosoma mansoni hypothetical protein 0.004 0.0209 0.2127
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0017 0.0075
Leishmania major DNA polymerase kappa, putative 0.0019 0.0075 0.1128
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0583
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0064 0.0358 0.0358
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0054 0.0463
Echinococcus granulosus nibrin 0.001 0.0017 0.0175
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0356 0.362
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0356 0.3641
Schistosoma mansoni endoplasmin 0.0046 0.0246 0.2495
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0103 0.0147
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 0.0275
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0402 0.0402
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0039 0.0037
Schistosoma mansoni neuropeptide receptor 0.0164 0.0984 1
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0103 0.0084
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0103 0.202
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0066 0.0083
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Echinococcus granulosus heat shock protein 90 0.004 0.0204 0.207
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0064 0.0358 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.006 0.001
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0039 0.0037
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Loa Loa (eye worm) hypothetical protein 0.0034 0.0168 0.1654
Schistosoma mansoni alpha-glucosidase 0.0138 0.0821 0.834
Giardia lamblia Grp94/Hsp90 0.0043 0.0228 0.9221
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0017 0.0175
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.006 0.001
Trypanosoma brucei pteridine reductase 1 0.0064 0.0358 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0179 0.0179
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0075 0.0098
Trypanosoma cruzi heat shock protein 85, putative 0.0046 0.0246 0.6699
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.006 0.001
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0043 0.0228 0.0358
Onchocerca volvulus 0.0093 0.0537 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0031 0.0148 0.0148
Schistosoma mansoni cpg binding protein 0.003 0.0143 0.1455
Onchocerca volvulus 0.0028 0.0133 0.2229
Brugia malayi Endoplasmin precursor 0.0046 0.0246 0.2477
Schistosoma mansoni cpg binding protein 0.0028 0.0133 0.1352
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0075 0.0098
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Leishmania major heat shock protein 83-1 0.0046 0.0246 0.6473
Brugia malayi hypothetical protein 0.0071 0.0402 0.4119
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0179 0.0275
Loa Loa (eye worm) hypothetical protein 0.0019 0.0075 0.0676
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Loa Loa (eye worm) retinol dehydrogenase 12 0.0064 0.0358 0.3655
Entamoeba histolytica hypothetical protein 0.0071 0.0402 0.6975
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0179 0.0275
Loa Loa (eye worm) hypothetical protein 0.0018 0.0066 0.0583
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0054 0.0054
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0064 0.0358 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0064 0.0358 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0179 0.2934
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0064 0.0358 0.058
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0054 0.0477
Schistosoma mansoni DNA ligase IV 0.001 0.0017 0.0175
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0075 0.1695
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0066 0.002
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0356 0.362
Mycobacterium ulcerans short chain dehydrogenase 0.0064 0.0358 0.058
Schistosoma mansoni DNA polymerase eta 0.0019 0.0075 0.0762
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0103 0.202
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0064 0.0358 0.052
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0179 0.4745
Echinococcus multilocularis protein dispatched 1 0.0048 0.0256 0.0256
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0054 0.0551
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0266 0.2687
Trypanosoma brucei glucosidase, putative 0.0036 0.0179 0.4745
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0017 0.0000005861
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0064 0.0358 0.058
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0219 0.219
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.006 0.001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0054 0.0463
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0179 0.2934
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0075 0.1695
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0064 0.0358 0.058
Trypanosoma brucei heat shock protein, putative 0.0046 0.0246 0.6699
Echinococcus multilocularis endoplasmin 0.0043 0.0228 0.0228

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0.32 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0.96 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 2.76 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 4 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 63 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 4.93 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 4 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 63 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 8.49 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.0032 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 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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