Detailed information for compound 1483364

Basic information

Technical information
  • TDR Targets ID: 1483364
  • Name: (2-cyanophenyl)methyl 3-(3,4,5-trimethoxyphen yl)propanoate
  • MW: 355.384 | Formula: C20H21NO5
  • H donors: 0 H acceptors: 2 LogP: 3.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCC(=O)OCc2ccccc2C#N)cc(c1OC)OC
  • InChi: 1S/C20H21NO5/c1-23-17-10-14(11-18(24-2)20(17)25-3)8-9-19(22)26-13-16-7-5-4-6-15(16)12-21/h4-7,10-11H,8-9,13H2,1-3H3
  • InChiKey: AABAVQUZXRXZII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4,5-trimethoxyphenyl)propanoic acid (2-cyanophenyl)methyl ester
  • 3-(3,4,5-trimethoxyphenyl)propionic acid (2-cyanobenzyl) ester
  • ZINC06453739
  • T5506475

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0041 0.0221
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.027
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0041 0.0222
Schistosoma mansoni 6-phosphogluconolactonase 0.0009 0.0006 0.0033
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0096 0.04 0.2139
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2224 1 1
Echinococcus granulosus cpg binding protein 0.0031 0.0108 0.0514
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.027
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.005 0.005
Schistosoma mansoni hypothetical protein 0.0174 0.0753 0.4041
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0015 0.0079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0015 0.0079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.018 0.0851
Loa Loa (eye worm) hypothetical protein 0.0035 0.0126 0.0681
Onchocerca volvulus 0.0416 0.1846 1
Trypanosoma brucei hexokinase 0.0416 0.1846 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0104 0.0438 0.2374
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.0438 0.3315
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0015 0.0033
Entamoeba histolytica fatty acid elongase, putative 0.0289 0.1271 0.6885
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0104 0.0438 0.0438
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0015 0.0069
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0033 0.0118 0.0118
Brugia malayi hypothetical protein 0.0037 0.0134 0.0728
Echinococcus multilocularis cpg binding protein 0.0031 0.0108 0.0247
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0047
Echinococcus multilocularis hexokinase 0.0416 0.1846 0.421
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.04 0.2166
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.018 0.0851
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0096 0.04 0.04
Trypanosoma brucei glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0078 0.042
Loa Loa (eye worm) hypothetical protein 0.0024 0.0078 0.042
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0078 0.042
Toxoplasma gondii hexokinase 0.0416 0.1846 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0015 0.0033
Echinococcus granulosus neuropeptide s receptor 0.0475 0.211 1
Trypanosoma cruzi hexokinase, putative 0.0416 0.1846 1
Brugia malayi hexokinase type II 0.0132 0.0565 0.306
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0041 0.022
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0078 0.0078
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0041 0.0041
Echinococcus granulosus dnaJ subfamily B 0.042 0.1862 0.8828
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0041 0.0093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0041 0.0222
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0078 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0015 0.0079
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0147 0.0629 0.0629
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2224 1 1
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0034
Schistosoma mansoni cpg binding protein 0.0031 0.0108 0.0582
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0041 0.0222
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.018 0.041
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Mycobacterium leprae Probable 6-phosphogluconolactonase DevB (6PGL) 0.0009 0.0006 0.0099
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0078 0.042
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0015 0.0078
Entamoeba histolytica hypothetical protein 0.0037 0.0134 0.0728
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0041 0.0194
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2224 1 0.5
Schistosoma mansoni coup transcription factor 0.001 0.0015 0.0078
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0015 0.0069
Echinococcus multilocularis hexokinase type 2 0.0416 0.1846 0.421
Schistosoma mansoni cpg binding protein 0.0031 0.0108 0.0582
Echinococcus granulosus hexokinase type 2 0.0416 0.1846 0.8748
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.018 0.041
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0134 0.0637
Brugia malayi Hexokinase family protein 0.0416 0.1846 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0041 0.0222
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0009 0.0006 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0015 0.0079
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0015 0.0033
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0015 0.0069
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0015 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.018 0.0965
Schistosoma mansoni 6-phosphogluconolactonase 0.0009 0.0006 0.0033
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.005 0.005
Onchocerca volvulus 0.0029 0.0101 0.0546
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0147 0.0629 0.0629
Brugia malayi Hexokinase family protein 0.0261 0.1146 0.6209
Brugia malayi 6-phosphogluconolactonase family protein 0.0009 0.0006 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0015 0.0079
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0015 0.0079
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0001 0.0004
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0015 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0041 0.0221
Loa Loa (eye worm) hexokinase type II 0.0416 0.1846 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0041 0.0222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.018 0.0965
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0045 0.0045
Echinococcus granulosus hexokinase 0.0416 0.1846 0.8748
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0015 0.0069
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0104 0.0438 0.3315
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0078 0.042
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0041 0.0193
Entamoeba histolytica fatty acid elongase, putative 0.0289 0.1271 0.6885
Echinococcus multilocularis neuropeptide receptor A26 0.0475 0.211 0.4812
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0147 0.0629 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0041 0.0221
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.027
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Loa Loa (eye worm) hexokinase 0.0416 0.1846 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0015 0.0079
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Schistosoma mansoni hypothetical protein 0.0016 0.0041 0.0219
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0134 0.0307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0015 0.0078
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0015 0.0078
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0078 0.042
Brugia malayi CXXC zinc finger family protein 0.0029 0.0101 0.0546
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.025 0.1342
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0041 0.0093
Schistosoma mansoni hypothetical protein 0.042 0.1862 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.005 0.005
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0041 0.0222
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0015 0.0079
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0096 0.04 0.2146
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.03 0.1322 0.716
Brugia malayi steroid hormone receptor 0.001 0.0015 0.0079
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2224 1 1
Plasmodium vivax hexokinase, putative 0.0416 0.1846 0.1846
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0041 0.0041
Echinococcus granulosus 6 phosphogluconolactonase 0.0009 0.0006 0.0029
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0078 0.042
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0078 0.0078
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0078 0.042
Entamoeba histolytica hexokinase 1 0.0416 0.1846 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0015 0.0069
Brugia malayi nuclear hormone receptor 0.001 0.0015 0.0079
Onchocerca volvulus 0.0416 0.1846 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0096 0.04 0.2166
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0009 0.0048
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0104 0.0438 0.3315
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0199 0.1076
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0078 0.0078
Schistosoma mansoni thyroid hormone receptor 0.001 0.0015 0.0078
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0041 0.0093
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0132 0.0565 0.306
Loa Loa (eye worm) hypothetical protein 0.0024 0.0078 0.042
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0015 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0015 0.0079
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.027
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.005 0.0044
Loa Loa (eye worm) hypothetical protein 0.0284 0.1249 0.6765
Trypanosoma brucei hexokinase 0.0416 0.1846 1
Schistosoma mansoni hypothetical protein 0.0035 0.0126 0.0674
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Trypanosoma brucei 6-phosphogluconolactonase 0.0009 0.0006 0.0034
Schistosoma mansoni thyroid hormone receptor 0.001 0.0015 0.0078
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0104 0.0438 0.0438
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0015 0.0078
Onchocerca volvulus 0.0261 0.1146 0.6209
Echinococcus multilocularis hexokinase 0.0416 0.1846 0.421
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0015 0.0079
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0096 0.04 0.0394
Brugia malayi glucose-6-phosphate dehydrogenase 0.0096 0.04 0.2166
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0001 0.0004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0015 0.0079
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2224 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0015 0.0079
Leishmania major hexokinase, putative 0.0416 0.1846 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0015 0.0079
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.027
Trypanosoma cruzi hexokinase, putative 0.0416 0.1846 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0015 0.0069
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.03 0.1322 0.716
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0199 0.1076
Echinococcus multilocularis geminin 0.0174 0.0753 0.1717
Mycobacterium ulcerans 6-phosphogluconolactonase 0.0009 0.0006 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0015 0.0079
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0078 0.042
Echinococcus multilocularis GPCR, family 2 0.0016 0.0041 0.0093
Echinococcus granulosus hexokinase 0.0416 0.1846 0.8748
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0041 0.0193
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0078 0.0078
Echinococcus granulosus neuropeptide receptor A26 0.0475 0.211 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2224 1 1
Echinococcus multilocularis hexokinase 0.0416 0.1846 0.421
Onchocerca volvulus 0.001 0.0015 0.0079
Echinococcus multilocularis 6 phosphogluconolactonase 0.0009 0.0006 0.0014
Entamoeba histolytica fatty acid elongase, putative 0.0289 0.1271 0.6885
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0078 0.0078
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0111 0.0601
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0015 0.0078
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0015 0.0079
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.005 0.005
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0041 0.0222
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0041 0.0093
Treponema pallidum hexokinase (hxk) 0.0416 0.1846 1
Schistosoma mansoni hypothetical protein 0.0016 0.0041 0.0219
Brugia malayi hexokinase 0.0416 0.1846 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0015 0.0079
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0199 0.1076
Leishmania major 6-phosphogluconolactonase 0.0009 0.0006 0.0034
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0078 0.042
Giardia lamblia Fructose-bisphosphate aldolase 0.03 0.1322 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0104 0.0438 0.3284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0015 0.0079
Entamoeba histolytica hypothetical protein 0.0037 0.0134 0.0728
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0015 0.0033
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.018 0.0965
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0001 0.0002
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0134 0.0722
Onchocerca volvulus 0.0416 0.1846 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0015 0.0033
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0041 0.0093
Plasmodium falciparum hexokinase 0.0416 0.1846 0.1846
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0078 0.1233
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0015 0.0033
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0015 0.0079
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0015 0.0079
Mycobacterium ulcerans hypothetical protein 0.0024 0.0078 0.0078
Entamoeba histolytica hypothetical protein 0.0037 0.0134 0.0728
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0041 0.0222
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0031 0.0107 0.0578
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0015 0.0069
Schistosoma mansoni cpg binding protein 0.0029 0.0101 0.0541
Entamoeba histolytica fatty acid elongase, putative 0.0289 0.1271 0.6885
Schistosoma mansoni hypothetical protein 0.0016 0.0041 0.0219
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0096 0.04 0.1895
Echinococcus granulosus geminin 0.0174 0.0753 0.3568
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0001 0.0004
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0009 0.0006 0.0033
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0015 0.0079
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0063 0.025 0.025
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0009 0.0006 0.0034
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.018 0.0973
Entamoeba histolytica hypothetical protein 0.0037 0.0134 0.0728
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0034
Trypanosoma brucei hexokinase, putative 0.0416 0.1846 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0101 0.0546
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0041 0.0093
Echinococcus multilocularis dnaJ subfamily B 0.042 0.1862 0.4248
Schistosoma mansoni hypothetical protein 0.0174 0.0753 0.4041
Entamoeba histolytica hexokinase 2 0.0416 0.1846 1
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0009 0.0006 0.0034
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0008 0.0045
Loa Loa (eye worm) hexokinase 0.0416 0.1846 1
Brugia malayi ecdysteroid receptor 0.001 0.0015 0.0079
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0015 0.0033
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0078 0.0078
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0015 0.0078
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0015 0.0069
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0034
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0015 0.0079
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0041 0.0222
Onchocerca volvulus 0.0024 0.0078 0.042
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0041 0.0221
Onchocerca volvulus Hexokinase homolog 0.0261 0.1146 0.6209
Treponema pallidum fructose-bisphosphate aldolase 0.03 0.1322 0.7151
Schistosoma mansoni hexokinase 0.0416 0.1846 0.991
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0015 0.0079
Brugia malayi Hexokinase family protein 0.0129 0.0549 0.2974
Leishmania major glucosamine-6-phosphate isomerase, putative 0.0009 0.0006 0.0034
Entamoeba histolytica fatty acid elongase, putative 0.0289 0.1271 0.6885
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2224 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0015 0.0079
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0096 0.04 0.0912
Schistosoma mansoni hypothetical protein 0.0016 0.0041 0.0219
Loa Loa (eye worm) hexokinase 0.0129 0.0549 0.2974
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0009 0.0042
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0126 0.0681
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0045 0.0045
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.03 0.1322 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0199 0.1076
Brugia malayi nuclear receptor NHR-88 0.001 0.0015 0.0079
Schistosoma mansoni hypothetical protein 0.0037 0.0134 0.0722
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.022 0.1191
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0015 0.0079
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0078 0.0078
Schistosoma mansoni nuclear hormone receptor 0.001 0.0015 0.0078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.018 0.0973
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0096 0.04 0.2166
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0015 0.0079
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0078 0.042
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0078 0.1233
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.4384 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0096 0.04 0.2166
Echinococcus granulosus GPCR family 2 0.0016 0.0041 0.0193
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0009 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0041 0.0093
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0001 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0015 0.0079
Brugia malayi isocitrate dehydrogenase 0.0016 0.0041 0.0222
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0078 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0015 0.0033
Loa Loa (eye worm) hexokinase 0.0261 0.1146 0.6209
Echinococcus granulosus hexokinase 0.0416 0.1846 0.8748
Loa Loa (eye worm) hypothetical protein 0.0132 0.0565 0.306
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0063 0.025 0.1354
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0015 0.0033
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0015 0.0069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0015 0.0079
Loa Loa (eye worm) hypothetical protein 0.001 0.0015 0.0079
Leishmania major hexokinase, putative 0.0416 0.1846 1
Echinococcus multilocularis neuropeptide s receptor 0.0475 0.211 0.4812

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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