Detailed information for compound 1404323

Basic information

Technical information
  • TDR Targets ID: 1404323
  • Name: T0518-4900
  • MW: 474.616 | Formula: C24H34N4O4S
  • H donors: 2 H acceptors: 3 LogP: 3.21 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1cc(ccc1C)NC(=O)C(Nc1ccccc1N1CCOCC1)C)CC
  • InChi: 1S/C24H34N4O4S/c1-5-28(6-2)33(30,31)23-17-20(12-11-18(23)3)26-24(29)19(4)25-21-9-7-8-10-22(21)27-13-15-32-16-14-27/h7-12,17,19,25H,5-6,13-16H2,1-4H3,(H,26,29)
  • InChiKey: PNOBVZDIJICTCA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS001002028
  • SMR000368222

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.045 0.1805
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0028 0.0119 0.0141
Loa Loa (eye worm) hypothetical protein 0.0029 0.0124 0.0482
Echinococcus granulosus JmjC domain containing protein 4 0.0025 0.0083 0.0097
Brugia malayi hypothetical protein 0.002 0.0027 0.0088
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.1461 0.4698
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0101 0.0064
Schistosoma mansoni alkaline phosphatase 0.0161 0.1498 0.1765
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0194 0.0229
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0196 0.0196
Echinococcus multilocularis alkaline phosphatase 0.0161 0.1498 0.1498
Loa Loa (eye worm) jmjC domain-containing protein 0.0097 0.0829 0.3344
Echinococcus multilocularis JmjC domain containing protein 4 0.0025 0.0083 0.0083
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.2932 1
Brugia malayi intermediate filament protein 0.0033 0.0163 0.0638
Echinococcus multilocularis peregrin 0.0031 0.0149 0.0149
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2191 0.7076
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0083 0.0312
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0101 0.0064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0812 0.0957
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0195 0.0438
Brugia malayi beta-lactamase family protein 0.0036 0.0195 0.0768
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0261 0.0627
Entamoeba histolytica hypothetical protein 0.0079 0.0651 0.2112
Schistosoma mansoni hypothetical protein 0.0084 0.0694 0.0818
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.045 0.1805
Echinococcus granulosus phd:f box containing protein 0.0025 0.0083 0.0097
Entamoeba histolytica hypothetical protein 0.0079 0.0651 0.2112
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.0101 0.0124
Onchocerca volvulus 0.0033 0.0163 0.1769
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0163 0.0638
Brugia malayi hypothetical protein 0.0079 0.0651 0.2619
Schistosoma mansoni lipoxygenase 0.0055 0.0392 0.0463
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0006 0.0002
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0261 0.0627
Schistosoma mansoni lamin 0.0033 0.0163 0.0192
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.0101 0.0264
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0124 0.114
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0195 0.0571
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0357 0.0963
Brugia malayi Bromodomain containing protein 0.0076 0.0613 0.2466
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0196 0.0399
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0161 0.1498 0.1765
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0449 0.1368
Brugia malayi follicle stimulating hormone receptor 0.0254 0.2468 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0083 0.0312
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0812 0.0957
Echinococcus granulosus jumonji domain containing protein 0.004 0.0242 0.0285
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0196 0.0232
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0153 0.1412 0.1664
Onchocerca volvulus 0.0027 0.0101 0.0958
Schistosoma mansoni alkaline phosphatase 0.0161 0.1498 0.1765
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0124 0.0124
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0196 0.3104
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0195 0.0394
Schistosoma mansoni jumonji/arid domain-containing protein 0.0097 0.0829 0.0977
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0248 0.0658
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0196 0.0443
Plasmodium falciparum phd finger protein, putative 0.0029 0.0124 0.0317
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0124 0.0147
Echinococcus granulosus lamin dm0 0.0033 0.0163 0.0192
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0025 0.0083 0.0097
Echinococcus granulosus GPCR family 2 0.0019 0.0022 0.0027
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0449 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0252 0.1001
Echinococcus multilocularis GPCR, family 2 0.0019 0.0022 0.0022
Echinococcus granulosus phospholipase A 2 activating protein 0.0036 0.0195 0.023
Mycobacterium tuberculosis Conserved protein 0.0036 0.0195 0.0571
Schistosoma mansoni bromodomain containing protein 0.0064 0.0492 0.058
Plasmodium falciparum polyubiquitin binding protein, putative 0.0036 0.0195 0.0548
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0476 0.0561
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0027
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0153 0.1412 0.1412
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0022 0.0022
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0248 0.0658
Echinococcus multilocularis musashi 0.0033 0.0163 0.0163
Echinococcus multilocularis muscleblind protein 0.0148 0.1361 0.1361
Mycobacterium leprae Probable lipase LipE 0.0036 0.0195 0.0789
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.0101 0.0228
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0195 0.0195
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.002 0.0037 0.0043
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0449 0.1287
Brugia malayi Muscleblind-like protein 0.0148 0.1361 0.5506
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.2932 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0444 0.1779
Echinococcus multilocularis jumonji domain containing 1A 0.0025 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.006 0.045 0.1805
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1501 0.1501
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0195 0.0438
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0196 0.0774
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0101 0.0228
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0027 0.0027
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0449 0.0529
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0006 0.0008
Schistosoma mansoni loxhd1 0.002 0.0027 0.0032
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0195 0.0571
Schistosoma mansoni rab6-interacting 0.002 0.0027 0.0032
Schistosoma mansoni hypothetical protein 0.0029 0.0124 0.0147
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0812 0.0812
Echinococcus multilocularis lysine specific demethylase 6a 0.0025 0.0083 0.0083
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8484 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.1293 0.4129
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0163 0.0638
Echinococcus multilocularis geminin 0.0205 0.1951 0.1951
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0196 0.0443
Loa Loa (eye worm) hypothetical protein 0.0027 0.0101 0.0386
Loa Loa (eye worm) hypothetical protein 0.0027 0.0101 0.0386
Echinococcus granulosus intestinal type alkaline phosphatase 0.0161 0.1498 0.1765
Leishmania major hypothetical protein, conserved 0.0036 0.0195 0.0394
Echinococcus granulosus lamin 0.0033 0.0163 0.0192
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0242 0.0242
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0651 0.0767
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0083 0.0312
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0812 0.0812
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0022 0.0068
Onchocerca volvulus Alhambra homolog 0.0029 0.0124 0.1267
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0101 0.0124
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0022 0.0068
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0036 0.0195 0.0395
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0314 0.3088 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.012 0.0464
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0028 0.0119 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0476 0.0561
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0025 0.0083 0.003
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0027 0.0032
Brugia malayi Bromodomain containing protein 0.0038 0.0219 0.0864
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0449 0.0449
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.045 0.1805
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0449 0.1368
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0252 0.1001
Toxoplasma gondii PUL domain-containing protein 0.0036 0.0195 0.3071
Loa Loa (eye worm) beta-lactamase 0.0036 0.0195 0.0768
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0101 0.0386
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0163 0.0638
Schistosoma mansoni phd/f-box containing protein 0.0025 0.0083 0.0097
Schistosoma mansoni lamin 0.0033 0.0163 0.0192
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0196 0.047
Echinococcus multilocularis zinc finger protein 0.0021 0.0043 0.0043
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.1501 0.1769
Schistosoma mansoni cpg binding protein 0.0032 0.0157 0.0184
Loa Loa (eye worm) hypothetical protein 0.007 0.0552 0.2219
Brugia malayi Bromodomain containing protein 0.0031 0.0149 0.0581
Schistosoma mansoni hypothetical protein 0.0205 0.1951 0.23
Loa Loa (eye worm) hypothetical protein 0.0032 0.0157 0.0613
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.0101 0.0228
Brugia malayi PHD-finger family protein 0.0026 0.0098 0.0373
Loa Loa (eye worm) hypothetical protein 0.0044 0.028 0.1114
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0196 0.0443
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0195 0.0571
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0195 0.0768
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0027 0.0032
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0006 0.0008
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.1293 0.4151
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0195 0.023
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0409 0.8893
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Echinococcus granulosus alkaline phosphatase 0.0161 0.1498 0.1765
Echinococcus granulosus geminin 0.0205 0.1951 0.23
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0248 0.0658
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0196 0.0443
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0101 0.0386
Brugia malayi beta-lactamase 0.0036 0.0195 0.0768
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0195 0.0438
Echinococcus granulosus RUN 0.002 0.0027 0.0032
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0065 0.05 0.2008
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0248 0.0658
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.1293 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0195 0.0536
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0031 0.0037
Schistosoma mansoni rab6-interacting 0.002 0.0027 0.0032
Echinococcus multilocularis cpg binding protein 0.0032 0.0157 0.0157
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0102
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.46 0.46
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8484 0.8484
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0102
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.1501 0.6072
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0195 0.0536
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0476 0.0561
Toxoplasma gondii hypothetical protein 0.0048 0.0326 0.6629
Onchocerca volvulus 0.0033 0.0163 0.1769
Schistosoma mansoni jumonji domain containing protein 0.0025 0.0083 0.0097
Onchocerca volvulus 0.0036 0.0195 0.2186
Schistosoma mansoni protein phosphatase 2C 0.0025 0.0083 0.0097
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.2932 1
Echinococcus granulosus cpg binding protein 0.0032 0.0157 0.0184
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0449 0.0529
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0006 0.0006
Mycobacterium tuberculosis Conserved protein 0.0036 0.0195 0.0571
Loa Loa (eye worm) WD domain-containing protein 0.0024 0.0074 0.0278
Schistosoma mansoni lipoxygenase 0.002 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0148 0.1361 0.5506
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0476 0.0476
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.0101 0.0124
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0195 0.0571
Mycobacterium tuberculosis Conserved protein 0.0036 0.0195 0.0571
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.2932 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0083 0.0312
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.0101 0.0064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0124 0.114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Entamoeba histolytica hypothetical protein 0.0079 0.0651 0.2112
Schistosoma mansoni alpha-glucosidase 0.0139 0.1267 0.1494
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0196 0.0399
Brugia malayi RNA binding protein 0.0063 0.0476 0.1911
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0314 0.3088 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0195 0.0394
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0027
Trichomonas vaginalis phospholipase A-2-activating protein, putative 0.0036 0.0195 0.0439
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0027 0.0032
Trypanosoma brucei glucosidase, putative 0.0036 0.0196 0.0428
Brugia malayi TAR-binding protein 0.0063 0.0476 0.1911
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0261 0.0627
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0101 0.0228
Echinococcus granulosus tar DNA binding protein 0.0063 0.0476 0.0561
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0651 0.0767
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0449 0.0529
Mycobacterium ulcerans lipase LipD 0.0036 0.0195 0.0536
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0476 0.1911
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0102
Echinococcus granulosus lysine specific demethylase 6a 0.0025 0.0083 0.0097
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0195 0.0422
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0006 0.0008
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0196 0.0443
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.0101 0.0228
Entamoeba histolytica hypothetical protein 0.0079 0.0651 0.2112
Echinococcus multilocularis phd:f box containing protein 0.0025 0.0083 0.0083
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0451 0.0532
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0196 0.0443
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0124 0.0482
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.2831 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.1501 0.1501
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1295 0.4255
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0022 0.0068
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0449 0.1368
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0456 0.0537
Echinococcus granulosus zinc finger protein 0.0021 0.0043 0.005
Echinococcus granulosus neuropeptide receptor A26 0.046 0.46 0.5422
Leishmania major hypothetical protein, conserved 0.0036 0.0195 0.0395
Schistosoma mansoni cpg binding protein 0.0028 0.012 0.0141
Loa Loa (eye worm) hypothetical protein 0.0019 0.0022 0.0068
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0314 0.3088 1
Mycobacterium ulcerans hypothetical protein 0.0157 0.1461 0.4678
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0314 0.3088 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0097 0.0829 0.0977
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0392 0.0392
Onchocerca volvulus 0.0093 0.0794 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.012 0.0464
Schistosoma mansoni alpha glucosidase 0.0036 0.0196 0.0232
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0195 0.0547
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.1295 0.4255
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.0088
Schistosoma mansoni phosphatidylserine receptor 0.0025 0.0083 0.0097
Mycobacterium ulcerans beta-lactamase 0.0036 0.0195 0.0536
Echinococcus multilocularis RUN 0.002 0.0027 0.0027
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0195 0.0438
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0196 0.0443
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1361 0.1361
Trichomonas vaginalis esterase, putative 0.0036 0.0195 0.0438
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0196 0.0774
Schistosoma mansoni hypothetical protein 0.0205 0.1951 0.23
Schistosoma mansoni phospholipase A-2-activating protein 0.0024 0.0074 0.0088
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0195 0.023
Loa Loa (eye worm) hypothetical protein 0.002 0.0027 0.0088
Trypanosoma cruzi WD domain, G-beta repeat/PFU (PLAA family ubiquitin binding), putative 0.0036 0.0195 0.0395
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0196 0.0443
Echinococcus granulosus jumonji domain containing 1A 0.0025 0.0083 0.0097
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0022 0.0027
Toxoplasma gondii ABC1 family protein 0.0036 0.0195 0.3062
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0195 0.0571
Loa Loa (eye worm) doublecortin family protein 0.002 0.0027 0.0088
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.2831 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0812 0.3276
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0101 0.0386
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.1501 0.6072
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0456 0.0456
Brugia malayi WD domain containing protein 0.0036 0.0195 0.0769
Schistosoma mansoni alpha-glucosidase 0.0139 0.1267 0.1494
Schistosoma mansoni hypothetical protein 0.002 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0148 0.1361 0.5506
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0073 0.0086
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0161 0.1498 0.1498
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0195 0.0571
Loa Loa (eye worm) hypothetical protein 0.004 0.0244 0.0966
Echinococcus multilocularis neuropeptide s receptor 0.046 0.46 0.46
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0195 0.0768
Echinococcus granulosus peregrin 0.0031 0.0149 0.0175
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0195 0.0789
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0392 0.0463
Echinococcus multilocularis phospholipase A 2 activating protein 0.0036 0.0195 0.0195
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0161 0.1498 0.1765
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Brugia malayi beta-lactamase family protein 0.0036 0.0195 0.0768
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.0101 0.0228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0812 0.0957
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0022 0.0027
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0027
Echinococcus multilocularis lamin dm0 0.0033 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0278
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0124 0.0147
Schistosoma mansoni cpg binding protein 0.0032 0.0157 0.0184
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.2831 1
Schistosoma mansoni zinc finger protein 0.0021 0.0043 0.005
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0476 0.0561
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0073 0.0073
Echinococcus granulosus muscleblind protein 0.0148 0.1361 0.1605
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0161 0.1498 0.1498
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0102
Schistosoma mansoni polycystin 1-related 0.002 0.0027 0.0032
Loa Loa (eye worm) hypothetical protein 0.0038 0.0219 0.0867
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0195 0.0438
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0195 0.0536
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0812 0.0957
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.0101 0.0228
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0651 0.0651
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Brugia malayi PHD-finger family protein 0.0029 0.0124 0.0482
Brugia malayi jmjC domain containing protein 0.0025 0.0083 0.0312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0195 0.023
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.2831 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0314 0.3088 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Schistosoma mansoni hypothetical protein 0.0019 0.0022 0.0027
Onchocerca volvulus 0.0036 0.0195 0.2186
Loa Loa (eye worm) RNA binding protein 0.0063 0.0476 0.1911
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0196 0.047
Loa Loa (eye worm) hypothetical protein 0.0027 0.0101 0.0386
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0031 0.0012
Brugia malayi hypothetical protein 0.002 0.0027 0.0088
Loa Loa (eye worm) jmjC domain-containing protein 0.0025 0.0083 0.0312
Loa Loa (eye worm) hypothetical protein 0.0033 0.0163 0.0638
Plasmodium vivax JmjC domain containing protein 0.0025 0.0083 0.0181
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0161 0.1498 0.1498
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0073 0.0086
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.0101 0.0264
Onchocerca volvulus 0.0028 0.012 0.1208
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0196 0.0399
Echinococcus multilocularis lamin 0.0033 0.0163 0.0163
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0027 0.0027
Echinococcus granulosus neuropeptide s receptor 0.046 0.46 0.5422
Brugia malayi F/Y-rich N-terminus family protein 0.002 0.0032 0.0108
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0254 0.2468 1
Schistosoma mansoni hypothetical protein 0.0041 0.0252 0.0297
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0195 0.0571
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0812 0.0957
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Brugia malayi jmjC domain containing protein 0.0153 0.1412 0.5712
Brugia malayi jmjC domain containing protein 0.0025 0.0083 0.0312
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0314 0.3088 1
Brugia malayi jmjC domain containing protein 0.0097 0.0829 0.3344
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0194 0.0194
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.2831 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8484 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0031 0.0102
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0812 0.3276
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0002
Schistosoma mansoni hypothetical protein 0.0079 0.0651 0.0767
Brugia malayi Doublecortin family protein 0.002 0.0027 0.0088
Schistosoma mansoni jumonji domain containing protein 0.0133 0.121 0.1426
Echinococcus granulosus lysine specific demethylase 5A 0.0097 0.0829 0.0977
Plasmodium falciparum JmjC domain-containing protein, putative 0.0025 0.0083 0.0181
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0037 0.0126
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0124 0.0317
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0476 0.1911
Mycobacterium ulcerans hypothetical protein 0.0027 0.0101 0.0228
Entamoeba histolytica fatty acid elongase, putative 0.0041 0.0248 0.0658
Loa Loa (eye worm) hypothetical protein 0.0036 0.0195 0.0768
Echinococcus multilocularis lysine specific demethylase 5A 0.0093 0.0793 0.0793
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0476 0.0561
Brugia malayi jmjC domain containing protein 0.0025 0.0083 0.0312
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0314 0.3088 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0449 0.14
Onchocerca volvulus 0.0036 0.0195 0.2186
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0476 0.1911
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0196 0.0443
Echinococcus granulosus intermediate filament protein 0.0033 0.0163 0.0192
Schistosoma mansoni intermediate filament proteins 0.0033 0.0163 0.0192
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0314 0.3088 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.1295 0.4272
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0031 0.0012
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0261 0.0655
Brugia malayi jmjC domain containing protein 0.0025 0.0083 0.0312

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0262 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) = 0.2239 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8199 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3753 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) = 11.2202 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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