Detailed information for compound 1415857

Basic information

Technical information
  • TDR Targets ID: 1415857
  • Name: 5,7-dimethoxy-4-methyl-8-[3-piperidin-1-yl-1- (3,4,5-trimethoxyphenyl)propyl]chromen-2-one
  • MW: 511.607 | Formula: C29H37NO7
  • H donors: 0 H acceptors: 1 LogP: 4.63 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(cc(c1OC)OC)C(c1c(OC)cc(c2c1oc(=O)cc2C)OC)CCN1CCCCC1
  • InChi: 1S/C29H37NO7/c1-18-14-25(31)37-29-26(18)21(32-2)17-22(33-3)27(29)20(10-13-30-11-8-7-9-12-30)19-15-23(34-4)28(36-6)24(16-19)35-5/h14-17,20H,7-13H2,1-6H3
  • InChiKey: PPVOUBBMDYNPMN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,7-dimethoxy-4-methyl-8-[3-(1-piperidyl)-1-(3,4,5-trimethoxyphenyl)propyl]chromen-2-one
  • 5,7-dimethoxy-4-methyl-8-[3-(1-piperidyl)-1-(3,4,5-trimethoxyphenyl)propyl]-2-chromenone
  • 5,7-dimethoxy-4-methyl-8-[3-piperidino-1-(3,4,5-trimethoxyphenyl)propyl]coumarin
  • SMR000465583
  • MLS000879396

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0153 0.0127
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0189 0.0867
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0234 0.0706
Loa Loa (eye worm) hypothetical protein 0.0148 0.3361 0.3234
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0335 0.0396
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0566 0.5523
Plasmodium vivax glutathione reductase, putative 0.0047 0.0904 1
Chlamydia trachomatis pyruvate kinase 0.0033 0.0565 1
Brugia malayi Latrophilin receptor protein 2 0.0133 0.2996 0.2996
Onchocerca volvulus Huntingtin homolog 0.0148 0.3361 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0171 0.0494
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0189 0.0476
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0904 0.2959
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0165 0.0039
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0335 0.2486
Brugia malayi Calcitonin receptor-like protein seb-1 0.042 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0566 0.1823
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0171 0.031
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0904 0.0729
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0335 0.0594
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0565 0.5385
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0047 0.0047
Echinococcus granulosus GPCR family 2 0.0133 0.2996 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0355 0.3118
Brugia malayi Thioredoxin reductase 0.0047 0.0904 0.0904
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0024 0.0335 0.015
Schistosoma mansoni hypothetical protein 0.0133 0.2996 0.4414
Echinococcus granulosus pyruvate kinase 0.0017 0.0171 0.0494
Schistosoma mansoni rab6-interacting 0.002 0.0234 0.0312
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0153 0.0433
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0058 0.1171 0.386
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.1149 0.1149
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0566 0.1823
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0355 0.3118
Plasmodium falciparum glutathione reductase 0.0047 0.0904 1
Schistosoma mansoni pyruvate kinase 0.0017 0.0171 0.0218
Loa Loa (eye worm) hypothetical protein 0.0133 0.2996 0.2862
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0565 0.0384
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0565 0.1634
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0566 0.0384
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0153 0.0934
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0153 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0993 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0058 0.1171 0.386
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0993 0.1364
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1055 0.0883
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Schistosoma mansoni hypothetical protein 0.0133 0.2996 0.4414
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0133 0.2996 0.2996
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0565 0.1343
Schistosoma mansoni rab6-interacting 0.002 0.0234 0.0312
Toxoplasma gondii thioredoxin reductase 0.0047 0.0904 0.8949
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0215 0.0284
Loa Loa (eye worm) apoptosis regulator protein 0.0058 0.1171 0.1002
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0355 0.3118
Leishmania major hypothetical protein, conserved 0.0025 0.0355 0.2669
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0565 0.1343
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0355 0.2695
Loa Loa (eye worm) hypothetical protein 0.042 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0993 0.082
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0799
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0565 0.5385
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0355 0.2731
Brugia malayi hypothetical protein 0.0025 0.0355 0.0355
Loa Loa (eye worm) RecQ helicase 0.0024 0.0338 0.0152
Brugia malayi hypothetical protein 0.002 0.0234 0.0234
Treponema pallidum fructose-bisphosphate aldolase 0.0291 0.6857 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.1149 0.3784
Echinococcus multilocularis pyruvate kinase 0.0033 0.0565 0.1821
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0338 0.0338
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0108 0.2376 0.7063
Onchocerca volvulus 0.0024 0.0335 0.0947
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0335 0.0594
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0566 0.1345
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0335 0.0594
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.1149 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0133 0.2996 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Brugia malayi Doublecortin family protein 0.002 0.0234 0.0234
Brugia malayi hypothetical protein 0.0148 0.3361 0.3361
Leishmania major pyruvate kinase 0.0033 0.0565 0.461
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0566 0.0805
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0566 0.5391
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0153 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0153 0.0433
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0993 0.3259
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0993 0.856
Leishmania major trypanothione reductase 0.0047 0.0904 0.7736
Schistosoma mansoni apoptosis regulator bax 0.0058 0.1171 0.1704
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0355 0.2484
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.0566 0.55
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0153 0.0799
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0165 0.0039
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0565 0.5385
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.1096 0.3607
Loa Loa (eye worm) hypothetical protein 0.0025 0.0355 0.017
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0335 0.0396
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0165 0.0039
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0566 0.5391
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0904 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0993 0.3259
Brugia malayi MAP kinase sur-1 0.0051 0.0993 0.0993
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0133 0.2996 1
Brugia malayi hypothetical protein 0.002 0.0234 0.0234
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0133 0.2996 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0566 0.1823
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0171 0.0287
Onchocerca volvulus 0.002 0.0234 0.0643
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.6857 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0234 0.0046
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0993 0.1364
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0993 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0153 0.0934
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.2668 0.819
Schistosoma mansoni hypothetical protein 0.0058 0.1171 0.1704
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0993 0.1439
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0153 0.0934
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0153 0.0099
Mycobacterium tuberculosis Probable reductase 0.0108 0.2376 0.7238
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0565 0.0796
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0133 0.2996 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0153 0.0191
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0565 0.0384
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.2376 0.7238
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0335 0.0335
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0234 0.0706
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.2376 0.7238
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.3224 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Schistosoma mansoni pyruvate kinase 0.0033 0.0565 0.0804
Mycobacterium ulcerans hypothetical protein 0.0024 0.0335 0.0594
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.1149 0.167
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Schistosoma mansoni hypothetical protein 0.0058 0.1171 0.1704
Loa Loa (eye worm) hypothetical protein 0.0023 0.032 0.0134
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0565 0.0565
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0993 0.3259
Echinococcus granulosus pyruvate kinase 0.0017 0.0171 0.0494
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.2376 0.7238
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0566 0.5391
Plasmodium falciparum pyruvate kinase 0.0033 0.0565 0.5493
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0153 0.0799
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0335 0.0594
Onchocerca volvulus Huntingtin homolog 0.0148 0.3361 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Brugia malayi hypothetical protein 0.0016 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0089 0.1913 0.1758
Trypanosoma brucei protein kinase, putative 0.0051 0.0993 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0153 0.0934
Schistosoma mansoni pyruvate kinase 0.0033 0.0565 0.0804
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.032 0.0374
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0335 0.015
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0993 1
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0565 0.0735
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0566 0.5391
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0189 0.0116
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0153 0.0153
Loa Loa (eye worm) doublecortin family protein 0.002 0.0234 0.0046
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0565 0.496
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0335 0.0594
Schistosoma mansoni hypothetical protein 0.0133 0.2996 0.4414
Echinococcus granulosus RUN 0.002 0.0234 0.0706
Schistosoma mansoni hypothetical protein 0.0133 0.2996 0.4414
Echinococcus granulosus pyruvate kinase 0.0033 0.0565 0.1821
Plasmodium falciparum thioredoxin reductase 0.0047 0.0904 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.2376 0.7238
Schistosoma mansoni hypothetical protein 0.002 0.0234 0.0312
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0565 0.1634
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0993 0.1364
Schistosoma mansoni loxhd1 0.002 0.0234 0.0312
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0047 0.0047
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.1149 0.3784
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0993 0.1364
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.032 0.0134
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0058 0.1171 0.1704
Echinococcus multilocularis pyruvate kinase 0.0033 0.0565 0.1821
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0189 0.0116
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0565 0.0735
Echinococcus granulosus bloom syndrome protein 0.0024 0.0338 0.1056
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0904 0.9037
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0565 0.5515
Schistosoma mansoni lipoxygenase 0.002 0.0234 0.0312
Loa Loa (eye worm) hypothetical protein 0.0033 0.0565 0.0384
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0565 0.0565
Schistosoma mansoni hypothetical protein 0.0058 0.1171 0.1704
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0153 0.0934
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0234 0.0706
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 0.6857 1
Brugia malayi latrophilin 2 splice variant baaae 0.0287 0.6758 0.6758
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.2668 0.819
Brugia malayi isocitrate dehydrogenase 0.0033 0.0566 0.0566
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0335 0.0396
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 0.6857 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0338 0.04
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0566 0.4967
Giardia lamblia Pyruvate kinase 0.0017 0.0171 0.0027
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.1149 0.3242
Trypanosoma brucei trypanothione reductase 0.0047 0.0904 0.9037
Schistosoma mansoni eyes absent homolog 0.0089 0.1913 0.2805
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0153 0.005
Schistosoma mansoni hypothetical protein 0.0287 0.6758 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.0395 0.1246
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0153 0.0127
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.2668 0.8076
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0993 0.3259
Echinococcus multilocularis pyruvate kinase 0.0017 0.0171 0.0494
Echinococcus multilocularis RUN 0.002 0.0234 0.0706
Brugia malayi hypothetical protein 0.0089 0.1913 0.1913
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0566 0.4615
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0904 0.2959
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0234 0.0706
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0335 0.2486
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.3224 1
Echinococcus multilocularis GPCR, family 2 0.0133 0.2996 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0335 0.0594
Loa Loa (eye worm) hypothetical protein 0.0024 0.0335 0.015
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0565 0.5385
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0153 0.0934
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0165 0.0039
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0153 0.005
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0993 1
Brugia malayi glutathione reductase 0.0047 0.0904 0.0904
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0171 0.0238
Giardia lamblia Pyruvate kinase 0.0033 0.0565 0.0615
Onchocerca volvulus 0.002 0.0234 0.0643
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0993 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0565 0.1821
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0234 0.1078
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0904 0.2445
Loa Loa (eye worm) hypothetical protein 0.0089 0.1913 0.1758
Loa Loa (eye worm) hypothetical protein 0.0058 0.1171 0.1002
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0355 0.2695
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0566 0.1823
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.1096 0.3607
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0799
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Loa Loa (eye worm) hypothetical protein 0.012 0.2691 0.255
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0153 0.0934
Echinococcus multilocularis pyruvate kinase 0.0017 0.0171 0.0494
Loa Loa (eye worm) hypothetical protein 0.002 0.0234 0.0046
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0993 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.1149 0.3242
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0058 0.1171 0.386
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.2668 0.819
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0234 0.1122
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0565 0.0384
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0335 0.0594
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0153 0.0099
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0335 0.0335
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0338 0.1056
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0993 0.856
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0566 0.4967
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0566 0.0566
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0267 0.1523
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0153 0.0934
Echinococcus granulosus pyruvate kinase 0.0017 0.0171 0.0494
Leishmania major pyruvate kinase 0.0033 0.0565 0.461
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0234 0.0706
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0234 0.0706
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.3224 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0133 0.2996 0.2862
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.1149 0.3242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 0.6857 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0335 0.0594
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0566 0.1823
Loa Loa (eye worm) hypothetical protein 0.0148 0.3361 0.3234
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0565 0.1634
Loa Loa (eye worm) glutathione reductase 0.0047 0.0904 0.0729
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0993 0.1253
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0338 0.04
Schistosoma mansoni polycystin 1-related 0.002 0.0234 0.0312
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0058 0.1171 0.1171
Loa Loa (eye worm) pigment dispersing factor receptor c 0.042 1 1
Schistosoma mansoni lipoxygenase 0.0055 0.1096 0.1592
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0189 0.0523
Loa Loa (eye worm) hypothetical protein 0.0287 0.6758 0.6696
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.2376 0.7238
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0058 0.1171 0.386
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0335 0.0594
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0566 0.1823
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0335 0.2486

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 8.2753 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) 9.285 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) 20.5878 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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