Detailed information for compound 596782

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.907 | Formula: C20H18ClN5O2S
  • H donors: 0 H acceptors: 5 LogP: 5.39 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCn1c(nnc1c1cccc(c1)Cl)Sc1ccc(c(c1)[N+](=O)[O-])C#N
  • InChi: 1S/C20H18ClN5O2S/c1-2-3-4-10-25-19(14-6-5-7-16(21)11-14)23-24-20(25)29-17-9-8-15(13-22)18(12-17)26(27)28/h5-9,11-12H,2-4,10H2,1H3
  • InChiKey: VPVLKWGYDBGCBG-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
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.0574 0.2738
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0317 0.0748
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0164 0.3775 0.3775
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0574 0.0833
Onchocerca volvulus 0.0029 0.0435 0.2079
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0619 0.1093
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0627 0.1478
Schistosoma mansoni retinoic acid receptor RXR 0.0136 0.309 0.309
Trichomonas vaginalis esterase, putative 0.0036 0.0619 0.1459
Echinococcus granulosus cpg binding protein 0.0031 0.0477 0.0477
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0016 0.0016
Entamoeba histolytica hypothetical protein 0.0037 0.0623 0.9929
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0619 0.0619
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.002 0.0029
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0012 0.002 0.0318
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0619 0.1093
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1306 0.1306
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0282 0.097
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0115 0.0173
Echinococcus multilocularis chromobox protein 1 0.0071 0.1465 0.1465
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.3427 0.4974
Brugia malayi hypothetical protein 0.0037 0.0623 0.0903
Brugia malayi SET domain containing protein 0.0012 0.0016 0.0023
Entamoeba histolytica hypothetical protein 0.0037 0.0623 0.9929
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0627 0.1478
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0574 0.0833
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.3831 0.556
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.0054 0.0256
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0076 0.0179
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0012 0.002 0.002
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0282 0.062
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0574 0.0574
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0574 0.0833
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0282 0.062
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0282 0.0409
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.1093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0627 0.1478
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0574 0.0574
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0282 0.062
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0054 0.0126
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0119 0.0119
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0574 0.0574
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0138 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0574 0.0833
Schistosoma mansoni cpg binding protein 0.0031 0.0477 0.0477
Schistosoma mansoni hypothetical protein 0.0415 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0627 0.1478
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.0243
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0574 0.0574
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.3831 0.556
Loa Loa (eye worm) hypothetical protein 0.0014 0.0054 0.0078
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3831 0.3831
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0619 0.9864
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0574 0.0574
Leishmania major cytochrome p450-like protein 0.0013 0.0027 0.0027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.3427 0.4974
Plasmodium falciparum enoyl-acyl carrier reductase 0.0182 0.4242 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0619 0.1093
Brugia malayi ecdysteroid receptor 0.0035 0.0574 0.0833
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1306 0.1306
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0574 0.0574
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0164 0.0386
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0088 0.0207
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0182 0.4242 1
Schistosoma mansoni eyes absent homolog 0.0089 0.1929 0.1929
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0289 0.689 1
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1306 0.1306
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.0574 0.2738
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0619 0.1459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0138 0.0325
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0695 0.1639
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0627 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0888 0.0888
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0012 0.002 0.0047
Onchocerca volvulus 0.0023 0.0282 0.1344
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0012 0.002 0.0029
Onchocerca volvulus 0.0012 0.002 0.0095
Mycobacterium ulcerans hypothetical protein 0.0036 0.0619 0.1418
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.1093
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0409 0.0963
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0627 0.1478
Brugia malayi steroid hormone receptor 0.0035 0.0574 0.0833
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.0041 0.006
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0574 0.0574
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.2719 0.6409
Schistosoma mansoni alpha-glucosidase 0.0143 0.3258 0.3258
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0282 0.0409
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0119 0.0173
Schistosoma mansoni hypothetical protein 0.0047 0.0888 0.0888
Onchocerca volvulus 0.0016 0.0119 0.0568
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0317 0.0748
Loa Loa (eye worm) hypothetical protein 0.0047 0.0888 0.1289
Trichomonas vaginalis chromobox protein, putative 0.0071 0.1465 0.3455
Echinococcus multilocularis GPCR, family 2 0.0047 0.0888 0.0888
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0627 0.1478
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0282 0.0409
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0627 0.2249
Entamoeba histolytica hypothetical protein 0.0037 0.0623 0.9929
Brugia malayi nuclear hormone receptor 0.0016 0.0119 0.0173
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.0243
Loa Loa (eye worm) hypothetical protein 0.015 0.3427 0.4974
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.1459
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0054 0.0554
Mycobacterium ulcerans hypothetical protein 0.0023 0.0282 0.062
Mycobacterium ulcerans beta-lactamase 0.0036 0.0619 0.1418
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0619 0.0619
Onchocerca volvulus 0.0012 0.0016 0.0075
Trichomonas vaginalis chromobox protein, putative 0.0043 0.077 0.1815
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0054 0.0554
Loa Loa (eye worm) hypothetical protein 0.0017 0.0138 0.02
Echinococcus multilocularis muscleblind protein 1 0.0289 0.689 0.689
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0627 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0619 0.0898
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0619 0.1459
Echinococcus granulosus tar DNA binding protein 0.0064 0.1306 0.1306
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.0119 0.0119
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0619 0.1093
Schistosoma mansoni cpg binding protein 0.0029 0.0435 0.0435
Schistosoma mansoni hypothetical protein 0.0047 0.0888 0.0888
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0119 0.0119
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.2719 0.6393
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1306 0.1896
Trichomonas vaginalis chromobox protein, putative 0.0043 0.077 0.1815
Loa Loa (eye worm) hypothetical protein 0.0024 0.0317 0.0461
Brugia malayi CHD4 protein 0.0013 0.0041 0.006
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0027 0.012
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0574 0.0574
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0168 0.0243
Echinococcus granulosus GPCR family 2 0.0047 0.0888 0.0888
Brugia malayi conserved hypotetical protein 0.0016 0.0119 0.0173
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0289 0.689 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0627 0.091
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.0119 0.0173
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.3427 0.4974
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0138 0.0279
Onchocerca volvulus 0.0096 0.2095 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0164 0.0386
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0054 0.0126
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0282 0.4491
Loa Loa (eye worm) retinol dehydrogenase 12 0.0012 0.002 0.0029
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0435 0.0632
Toxoplasma gondii ABC1 family protein 0.0036 0.0619 0.1459
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1306 0.1306
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0115 0.0173
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.1459
Schistosoma mansoni cpg binding protein 0.0031 0.0477 0.0477
Onchocerca volvulus 0.0036 0.0619 0.2953
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0282 0.0478
Brugia malayi beta-lactamase 0.0036 0.0619 0.0898
Loa Loa (eye worm) hypothetical protein 0.0017 0.0138 0.02
Echinococcus multilocularis chromobox protein 1 0.0071 0.1465 0.1465
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0119 0.0173
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.2719 0.2719
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0619 0.1093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0574 0.0574
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0136 0.309 0.309
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0574 0.0574
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0054 0.0554
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.077 0.3676
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0282 0.062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0138 0.02
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0888 0.0888
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0627 0.1478
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0041 0.0041
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0619 0.9864
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0574 0.0833
Loa Loa (eye worm) oxidoreductase 0.0012 0.002 0.0029
Echinococcus multilocularis cpg binding protein 0.0031 0.0477 0.0477
Trichomonas vaginalis chromobox protein, putative 0.0071 0.1465 0.3455
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0317 0.0748
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0119 0.0119
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.3831 0.3831
Onchocerca volvulus 0.0012 0.002 0.0095
Echinococcus granulosus muscleblind protein 0.0289 0.689 0.689
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0119 0.0119
Brugia malayi beta-lactamase family protein 0.0036 0.0619 0.0898
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0282 0.0409
Loa Loa (eye worm) hypothetical protein 0.0102 0.2252 0.3268
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0619 0.1418
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0119 0.0568
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0619 0.1093
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.004 0.0695 0.1009
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0182 0.4242 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0115 0.0173
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.0574 0.2738
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0619 0.1418
Schistosoma mansoni hypothetical protein 0.0047 0.0888 0.0888
Leishmania major glycosyl hydrolase-like protein 0.0014 0.0054 0.0125
Loa Loa (eye worm) hypothetical protein 0.0023 0.0282 0.0409
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0012 0.002 0.0047
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0619 0.0619
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.0119 0.0173
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0282 0.062
Echinococcus multilocularis geminin 0.0164 0.3775 0.3775
Brugia malayi hypothetical protein 0.0016 0.0119 0.0173
Brugia malayi nuclear receptor RXR 0.0016 0.0119 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0574 0.0833
Brugia malayi hypothetical protein 0.0089 0.1929 0.28
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0409 0.0963
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0037 0.0623 0.0623
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.2635 0.2635
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0119 0.0119
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0574 0.0574
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0888 0.1289
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0619 0.0898
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0054 0.0126
Brugia malayi Cytochrome P450 family protein 0.0013 0.0027 0.0039
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Echinococcus granulosus chromobox protein 1 0.0071 0.1465 0.1465
Brugia malayi RNA binding protein 0.0064 0.1306 0.1896
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.5498 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0574 0.0833
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1306 0.1306
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0888 0.1289
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0119 0.0119
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0282 0.062
Brugia malayi chromobox protein homolog 3 0.004 0.0695 0.1009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0574 0.0574
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0119 0.0119
Brugia malayi tailless protein 0.0016 0.0119 0.0173
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.0243
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0574 0.0574
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0119 0.0119
Brugia malayi hypothetical protein 0.0018 0.0168 0.0243
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0627 0.1478
Mycobacterium ulcerans lipase LipD 0.0036 0.0619 0.1418
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0574 0.0833
Brugia malayi beta-lactamase family protein 0.0036 0.0619 0.0898
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0012 0.002 0.002
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0119 0.0119
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.1465 0.2127
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Loa Loa (eye worm) beta-lactamase 0.0036 0.0619 0.0898
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.2719 0.2719
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0574 0.0833
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0574 0.0833
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0168 0.0243
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0164 0.0386
Brugia malayi hypothetical protein 0.0024 0.0317 0.0461
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0623 0.0623
Schistosoma mansoni hypothetical protein 0.0102 0.2252 0.2252
Onchocerca volvulus 0.0035 0.0574 0.2738
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0627 0.091
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0027 0.0039
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0168 0.0168
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0623 0.0623
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.2719 0.2719
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0574 0.0574
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0119 0.0119
Brugia malayi nuclear receptor NHR-88 0.0016 0.0119 0.0173
Echinococcus granulosus geminin 0.0164 0.3775 0.3775
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0574 0.0833
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0012 0.002 0.0047
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0119 0.0119
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0574 0.0574
Entamoeba histolytica hypothetical protein 0.0037 0.0623 0.9929
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0138 0.0215
Brugia malayi hypothetical protein 0.0018 0.0168 0.0243
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0016 0.0119 0.0119
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0089 0.1929 0.28
Schistosoma mansoni coup transcription factor 0.0035 0.0574 0.0574
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0888 0.0888
Schistosoma mansoni zinc finger protein 0.0016 0.0119 0.0119
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.0054 0.0126
Loa Loa (eye worm) hypothetical protein 0.0031 0.0483 0.0701
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.0119 0.0173
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0317 0.4902
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0317 0.4902
Onchocerca volvulus 0.0036 0.0619 0.2953
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Loa Loa (eye worm) DR-78 0.0016 0.0119 0.0173
Schistosoma mansoni alpha-glucosidase 0.0143 0.3258 0.3258
Brugia malayi nuclear receptor NHR-88 0.0035 0.0574 0.0833
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0182 0.4242 1
Echinococcus multilocularis muscleblind protein 0.0289 0.689 0.689
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.2719 0.6393
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0182 0.4242 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0574 0.0833
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0619 0.1459
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Schistosoma mansoni dihydropteridine reductase 0.0012 0.002 0.002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0574 0.0574
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.0243
Onchocerca volvulus 0.0016 0.0119 0.0568
Schistosoma mansoni chromobox protein 0.0071 0.1465 0.1465
Leishmania major hypothetical protein, conserved 0.0024 0.0317 0.1103
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0619 0.1418
Trypanosoma brucei glucosidase, putative 0.0037 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.0029
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.2719 0.6393
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0054 0.0126
Trichomonas vaginalis hypothetical protein 0.0182 0.4242 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0282 0.4491
Mycobacterium leprae Probable lipase LipE 0.0036 0.0619 0.1418
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0282 0.0478
Schistosoma mansoni alpha glucosidase 0.0037 0.0627 0.0627
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0027 0.0039
Brugia malayi Heterochromatin protein 1 0.0071 0.1465 0.2127
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1306 0.1896
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0619 0.1459
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0282 0.097
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0574 0.0574
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.2719 0.2719
Loa Loa (eye worm) RNA binding protein 0.0064 0.1306 0.1896
Brugia malayi hypothetical protein 0.0016 0.0119 0.0173
Brugia malayi hypothetical protein 0.0016 0.0103 0.015
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0695 0.1639
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1306 0.1306
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0574 0.0574
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0119 0.0568
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0574 0.0833
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0282 0.097
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0054 0.0078
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0317 0.4902
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0182 0.4242 0.7706
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.2719 1
Leishmania major hypothetical protein, conserved 0.0036 0.0619 0.2219
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0619 0.0619
Loa Loa (eye worm) hypothetical protein 0.0017 0.0138 0.02
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0888 0.1289
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0119 0.0173
Brugia malayi Muscleblind-like protein 0.0289 0.689 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0168 0.0168
Brugia malayi nuclear hormone receptor 0.0035 0.0574 0.0833
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0282 0.062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0018 0.0168 0.0243
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0027 0.0017
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0012 0.002 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0619 0.9864
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0282 0.4491
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0574 0.0833
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0574 0.0574
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0119 0.0173
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0627 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0627 0.1478
Loa Loa (eye worm) hypothetical protein 0.0017 0.0138 0.02
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0574 0.0833
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0695 0.332
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0619 0.1093
Onchocerca volvulus 0.0031 0.0483 0.2307
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0041 0.0041
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0627 0.0627
Schistosoma mansoni hypothetical protein 0.0047 0.0888 0.0888
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0023 0.0282 0.0409
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0282 0.062
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1245 0.1245
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0012 0.002 0.0047
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0027 0.0039
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0627 0.0627
Schistosoma mansoni chromobox protein 0.0071 0.1465 0.1465
Onchocerca volvulus 0.0036 0.0619 0.2953
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0027 0.012
Loa Loa (eye worm) hypothetical protein 0.0089 0.1929 0.28
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0014 0.0054 0.0854
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0173
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0115 0.0173
Brugia malayi Cytochrome P450 family protein 0.0013 0.0027 0.0039
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0012 0.002 0.0047
Echinococcus granulosus chromobox protein 1 0.0071 0.1465 0.1465
Echinococcus multilocularis dnaJ subfamily B 0.0415 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.0574 0.0574
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0888 0.0888
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0574 0.0833
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0574 0.0833
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Loa Loa (eye worm) hypothetical protein 0.0035 0.0574 0.0833
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.2252 0.3268
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0054 0.0126
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1306 0.1896
Brugia malayi ecdysone receptor 0.0016 0.0119 0.0173
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0182 0.4242 1
Brugia malayi nuclear receptor NHR-67 0.0016 0.0119 0.0173
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0574 0.0574
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0119 0.0119
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1082 0.255
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0168 0.0168
Schistosoma mansoni nuclear receptor 0.0016 0.0119 0.0119
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0016 0.0119 0.0173
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0088 0.0207
Schistosoma mansoni hypothetical protein 0.0164 0.3775 0.3775
Schistosoma mansoni nuclear receptor 0.0016 0.0119 0.0119
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0574 0.0574
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0054 0.0126
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0054 0.0126
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0317 0.0748
Brugia malayi CXXC zinc finger family protein 0.0029 0.0435 0.0632
Loa Loa (eye worm) hypothetical protein 0.0036 0.0619 0.0898
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.0119 0.0173
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0574 0.0574
Brugia malayi nuclear receptor RXR 0.0018 0.0168 0.0243
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0574 0.0574
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0627 0.1478
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.3831 0.3831
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0623 0.0623
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0282 0.062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0574 0.0833
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0182 0.4242 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0619 0.1093
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0027 0.012
Brugia malayi TAR-binding protein 0.0064 0.1306 0.1896
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0138 0.0279
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.2719 0.4926
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0168 0.0243
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0168 0.0168
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0041 0.0041

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.77 % 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 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 4 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 5.58 % 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) = 6.17 % 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) = 75 % 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 (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 frequency index (IFI) (functional) = 7.04 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) = 4 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 75 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.11 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.76847 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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