Detailed information for compound 1045252

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.951 | Formula: C21H32ClN3O2
  • H donors: 2 H acceptors: 3 LogP: 6.09 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)NCCCCCCCCCCCn1cncc1.Cl
  • InChi: 1S/C21H31N3O2.ClH/c25-21(26)19-10-12-20(13-11-19)23-14-8-6-4-2-1-3-5-7-9-16-24-17-15-22-18-24;/h10-13,15,17-18,23H,1-9,14,16H2,(H,25,26);1H
  • InChiKey: LBHNGWNMNCRGRM-UHFFFAOYSA-N  


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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
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0095 0.0056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0042 0.0003
Schistosoma mansoni hypothetical protein 0.0026 0.0085 0.0046
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Trypanosoma brucei hypothetical protein, conserved 0.008 0.0725 0.0688
Brugia malayi beta-lactamase family protein 0.008 0.0725 0.0688
Leishmania major prostaglandin f synthase, putative 0.086 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Trypanosoma brucei prostaglandin f synthase 0.086 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0042 0.0003
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0039 0.0026
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0451 0.0414
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0249 0.2734 0.2706
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0042 0.0003
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0451 0.0438
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0725 0.0688
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0469 0.0432
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0042 0.0003
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0725 0.0712
Loa Loa (eye worm) oxidoreductase 0.086 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0249 0.2734 1
Schistosoma mansoni thyroid hormone receptor 0.0162 0.1694 0.1662
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.086 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.086 1 1
Mycobacterium leprae Probable lipase LipE 0.008 0.0725 0.0636
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0095 0.0056
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0126 0.1275 0.1241
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0042 0.0003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0095 0.0082
Entamoeba histolytica aldose reductase, putative 0.086 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0249 0.2734 0.2706
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0156 0.1631 0.1598
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.1275 0.1241
Echinococcus multilocularis voltage gated potassium channel subunit 0.0249 0.2734 0.2706
Entamoeba histolytica aldose reductase, putative 0.086 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0042 0.0003
Onchocerca volvulus 0.008 0.0725 0.0685
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0042 0.0003
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0042 0.0003
Trichomonas vaginalis aldo-keto reductase, putative 0.0249 0.2734 0.2706
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0042 0.0003
Toxoplasma gondii ABC1 family protein 0.008 0.0725 0.0556
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0469 0.1676
Trichomonas vaginalis conserved hypothetical protein 0.0249 0.2734 0.2706
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0042 0.0003
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0469 0.0432
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0042 0.0003
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Loa Loa (eye worm) oxidoreductase 0.086 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0095 0.0056
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Leishmania major hypothetical protein, conserved 0.0059 0.0469 0.0432
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.0725 0.0725
Loa Loa (eye worm) oxidoreductase 0.086 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0042 0.0003
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0085 0.0046
Onchocerca volvulus 0.086 1 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0085 0.0046
Schistosoma mansoni coup transcription factor 0.0023 0.0042 0.0003
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0249 0.2734 0.2706
Toxoplasma gondii aldo-keto reductase 0.0249 0.2734 0.2603
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0249 0.2734 0.2603
Loa Loa (eye worm) 6-phosphofructokinase 0.0126 0.1275 0.1264
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0156 0.1631 0.1598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Entamoeba histolytica hypothetical protein 0.0079 0.0716 0.068
Onchocerca volvulus 0.086 1 1
Brugia malayi nuclear receptor NHR-88 0.0023 0.0042 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.086 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0249 0.2734 0.2706
Mycobacterium tuberculosis Conserved protein 0.008 0.0725 0.0725
Brugia malayi nuclear hormone receptor 0.0023 0.0042 0.0003
Toxoplasma gondii aldose reductase, putative 0.086 1 1
Brugia malayi MH2 domain containing protein 0.0137 0.1398 0.1365
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0725 0.0688
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0156 0.1631 0.1598
Brugia malayi beta-lactamase family protein 0.008 0.0725 0.0688
Echinococcus granulosus aldo keto reductase 0.086 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0991 0.0979
Plasmodium vivax ataxin-2 like protein, putative 0.0059 0.0469 0.1676
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Entamoeba histolytica hypothetical protein 0.0079 0.0716 0.068
Trichomonas vaginalis aldo/keto reductase, putative 0.086 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.086 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0095 0.0082
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.1275 0.1241
Trypanosoma cruzi aldo/keto reductase, putative 0.0249 0.2734 0.2706
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0095 0.0082
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0249 0.2734 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0042 0.0003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0042 0.0029
Plasmodium vivax hypothetical protein, conserved 0.008 0.0725 0.2614
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0082
Loa Loa (eye worm) hypothetical protein 0.0057 0.0451 0.0438
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.1275 0.1241
Loa Loa (eye worm) 6-phosphofructokinase 0.0126 0.1275 0.1264
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0039 0.0026
Brugia malayi hypothetical protein 0.0079 0.0716 0.068
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.1398 0.1387
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0042 0.0003
Trypanosoma brucei aldo/keto reductase, putative 0.0249 0.2734 0.2706
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0725 0.0688
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0725 0.0688
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0178 0.0606
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0095 0.0056
Onchocerca volvulus 0.0027 0.0095 0.0053
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0095 0.0095
Schistosoma mansoni potassium channel beta 0.0249 0.2734 0.2706
Brugia malayi steroid hormone receptor 0.0023 0.0042 0.0003
Loa Loa (eye worm) hypothetical protein 0.0059 0.0469 0.0457
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Schistosoma mansoni pol-related 0.086 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0042 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0042 0.0003
Echinococcus multilocularis 6 phosphofructokinase 0.0126 0.1275 0.1241
Onchocerca volvulus 0.086 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.0725 0.0712
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0178 0.0606
Onchocerca volvulus 0.008 0.0725 0.0685
Schistosoma mansoni hypothetical protein 0.0039 0.0236 0.0198
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0249 0.2734 0.2603
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.086 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0126 0.1275 0.1241
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Schistosoma mansoni hypothetical protein 0.0079 0.0716 0.068
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0178 0.014
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0725 0.0688
Echinococcus granulosus hypothetical protein 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Echinococcus granulosus aldo keto reductase 0.086 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.1275 0.1241
Entamoeba histolytica alcohol dehydrogenase, putative 0.0249 0.2734 0.2706
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0042 0.0003
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0178 0.0606
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0042 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0716 0.068
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Plasmodium vivax aldehyde reductase, putative 0.0249 0.2734 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0249 0.2734 0.2706
Trichomonas vaginalis aldo-keto reductase, putative 0.0249 0.2734 0.2706
Mycobacterium ulcerans beta-lactamase 0.008 0.0725 0.0712
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.0725 0.0725
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.0725 0.0725
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0042 0.0003
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0725 0.0688
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0178 0.0606
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0042 0.0003
Trichomonas vaginalis aldo/keto reductase, putative 0.086 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0716 0.068
Loa Loa (eye worm) beta-lactamase 0.008 0.0725 0.0712
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0156 0.1631 0.162
Trichomonas vaginalis esterase, putative 0.008 0.0725 0.0688
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0042 0.0003
Leishmania major ATP-dependent phosphofructokinase 0.0126 0.1275 0.1241
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Mycobacterium tuberculosis Conserved protein 0.0249 0.2734 0.2734
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.086 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0095 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0156 0.1631 0.1598
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0042 0.0003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0095 0.0082
Echinococcus multilocularis aldo keto reductase 0.086 1 1
Leishmania major aldo-keto reductase-like protein 0.086 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0156 0.1631 0.1598
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0469 0.1676
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0042 0.0029
Mycobacterium ulcerans hypothetical protein 0.0249 0.2734 0.2725
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Schistosoma mansoni aldo-keto reductase 0.086 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0139 0.1424 0.1391
Schistosoma mansoni aldo-keto reductase 0.086 1 1
Echinococcus granulosus aldehyde reductase 0.0611 0.7037 0.7026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0042 0.0029
Brugia malayi hypothetical protein 0.0038 0.0222 0.0184
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0042 0.0003
Echinococcus multilocularis aldehyde reductase 0.0611 0.7037 0.7026
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0611 0.7037 0.7009
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0042 0.0003
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0725 0.0688
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0156 0.1631 0.1598
Echinococcus granulosus aldo keto reductase 0.086 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0042 0.0003
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0042 0.0003
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0095 0.0082
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0156 0.1631 0.1598
Mycobacterium ulcerans lipase LipD 0.008 0.0725 0.0712
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0512 0.5858 0.5858
Echinococcus granulosus 6 phosphofructokinase 0.0126 0.1275 0.1241
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0034 0.0178 0.014
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0725 0.0688
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0042 0.0003
Brugia malayi hypothetical protein 0.0102 0.0991 0.0956
Mycobacterium ulcerans hypothetical protein 0.008 0.0725 0.0712
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0042 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0236 0.0198
Loa Loa (eye worm) hypothetical protein 0.0039 0.0236 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0042 0.0003
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0139 0.1424 0.1391
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0095 0.0082
Schistosoma mansoni thyroid hormone receptor 0.0162 0.1694 0.1662
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0042 0.0029
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0039 0.0039
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Mycobacterium tuberculosis Conserved protein 0.008 0.0725 0.0725
Onchocerca volvulus 0.008 0.0725 0.0685
Leishmania major hypothetical protein, conserved 0.008 0.0725 0.0688
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0095 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0042 0.0003
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0178 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0249 0.2734 0.2706
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0451 0.0414
Loa Loa (eye worm) oxidoreductase 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0042 0.0003
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0095 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0156 0.1631 0.1598
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0082
Echinococcus multilocularis aldo keto reductase 0.086 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0725 0.0688
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0178 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.0725 0.0725
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0042 0.0003
Echinococcus multilocularis aldo keto reductase 0.086 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0042 0.0029
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.1275 0.1241
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0042 0.0029
Mycobacterium tuberculosis Probable hydrolase 0.008 0.0725 0.0725
Onchocerca volvulus 0.086 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0249 0.2734 1
Brugia malayi 6-phosphofructokinase 0.0126 0.1275 0.1241
Giardia lamblia Aldose reductase 0.086 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0991 0.0979
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0042 0.0003
Schistosoma mansoni hypothetical protein 0.0139 0.1424 0.1391
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0725 0.0688
Trichomonas vaginalis aldo-keto reductase, putative 0.0249 0.2734 0.2706
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0042 0.0029
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Mycobacterium tuberculosis Conserved protein 0.008 0.0725 0.0725
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0725 0.0688
Entamoeba histolytica phosphofructokinase, putative 0.0126 0.1275 0.1241
Brugia malayi ecdysteroid receptor 0.0023 0.0042 0.0003
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0126 0.1275 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.1398 0.1387
Trypanosoma brucei PAB1-binding protein , putative 0.0059 0.0469 0.0432
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0042 0.0003
Brugia malayi hypothetical protein 0.0059 0.0469 0.0432
Mycobacterium ulcerans oxidoreductase 0.086 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.086 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0042 0.0003
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0126 0.1275 0.1275
Echinococcus multilocularis thyroid hormone receptor alpha 0.0162 0.1694 0.1662
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0042 0.0003
Onchocerca volvulus 0.086 1 1
Brugia malayi NADH-dependent xylose reductase 0.0249 0.2734 0.2706
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0042 0.0003
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.086 1 1
Onchocerca volvulus 0.086 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Loa Loa (eye worm) phosphofructokinase 0.0126 0.1275 0.1264
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.0725 0.0712
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.0725 0.0725
Mycobacterium leprae conserved hypothetical protein 0.008 0.0725 0.0636
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0042 0.0003
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Mycobacterium leprae Possible oxidoreductase 0.0249 0.2734 0.2665
Onchocerca volvulus 0.0249 0.2734 0.2704
Trypanosoma cruzi aldo-keto reductase 0.086 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0042 0.0003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0022 0.0039 0.0026
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0095 0.0056
Loa Loa (eye worm) hypothetical protein 0.008 0.0725 0.0712
Brugia malayi 6-phosphofructokinase 0.0126 0.1275 0.1241
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0042 0.0003
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0042 0.0029
Loa Loa (eye worm) oxidoreductase 0.086 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0039 0.0026
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.086 1 1
Schistosoma mansoni eyes absent homolog 0.0102 0.0991 0.0956
Echinococcus multilocularis aldo keto reductase 0.086 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0716 0.068
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0178 0.014
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0042 0.0003
Loa Loa (eye worm) hypothetical protein 0.086 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0042 0.0003
Trichomonas vaginalis aldo/keto reductase, putative 0.086 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0178 0.014
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0082
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.086 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0126 0.1275 0.1241
Mycobacterium ulcerans 6-phosphofructokinase 0.0126 0.1275 0.1264
Trypanosoma cruzi aldo/keto reductase, putative 0.086 1 1
Giardia lamblia Aldose reductase 0.086 1 1
Entamoeba histolytica aldose reductase, putative 0.086 1 1
Mycobacterium ulcerans hypothetical protein 0.0027 0.0095 0.0082
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0126 0.1275 0.1192
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.086 1 1
Brugia malayi phosphofructokinase 0.0126 0.1275 0.1241
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0095 0.0082
Loa Loa (eye worm) hypothetical protein 0.0023 0.0042 0.0029
Trichomonas vaginalis aldo-keto reductase, putative 0.086 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0126 0.1275 0.1241
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0095 0.0056
Toxoplasma gondii LsmAD domain-containing protein 0.0059 0.0469 0.0296
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0095 0.0095
Echinococcus granulosus aldo keto reductase family 1 member B4 0.086 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0042 0.0003
Entamoeba histolytica hypothetical protein 0.0079 0.0716 0.068
Brugia malayi beta-lactamase 0.008 0.0725 0.0688
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0725 0.0688
Entamoeba histolytica hypothetical protein 0.0079 0.0716 0.068
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0249 0.2734 0.2725
Schistosoma mansoni 6-phosphofructokinase 0.0126 0.1275 0.1241

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 22 % In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase (ACAT) ChEMBL. 6604816

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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