Detailed information for compound 1337727

Basic information

Technical information
  • TDR Targets ID: 1337727
  • Name: 2-(5,7-dibromoquinolin-8-yl)oxy-1-(2-ethylpip eridin-1-yl)ethanone
  • MW: 456.172 | Formula: C18H20Br2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.88 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1CCCCN1C(=O)COc1c(Br)cc(c2c1nccc2)Br
  • InChi: 1S/C18H20Br2N2O2/c1-2-12-6-3-4-9-22(12)16(23)11-24-18-15(20)10-14(19)13-7-5-8-21-17(13)18/h5,7-8,10,12H,2-4,6,9,11H2,1H3
  • InChiKey: YNIRLGBNRQYQLX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(5,7-dibromo-8-quinolyl)oxy]-1-(2-ethyl-1-piperidyl)ethanone
  • 2-[(5,7-dibromo-8-quinolyl)oxy]-1-(2-ethyl-1-piperidinyl)ethanone
  • SMR000343642
  • Oprea1_210117
  • T5308745
  • MLS000770125

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 lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
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
Schistosoma japonicum Intermediate filament protein ifa-1, 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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein 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 granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical 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
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0014 0.0031
Echinococcus granulosus cpg binding protein 0.0037 0.0245 0.0537
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0309 0.9562
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0014 0.0022
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0206 0.0735
Loa Loa (eye worm) inositol-1 0.0045 0.032 0.1486
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0014 0.0031
Brugia malayi jmjC domain containing protein 0.0073 0.0588 0.212
Brugia malayi ecdysteroid receptor 0.0012 0.0014 0.0037
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0078 0.017
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0578 0.5361 0.4183
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.052 0.2416
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0309 0.0306
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0014 0.0037
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0011 0.0004 0.0008
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0014 0.0031
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0309 0.1109
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.032 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0078 0.036
Loa Loa (eye worm) hypothetical protein 0.0128 0.111 0.5155
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0014 0.0037
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0014 0.0022
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0309 0.9664
Mycobacterium leprae Chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase). 0.0527 0.488 0.9053
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0078 0.017
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0079 0.0365
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.032 0.0701
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.057 0.1248
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0014 0.0022
Schistosoma mansoni inositol monophosphatase 0.0045 0.032 0.0693
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Mycobacterium tuberculosis 3-dehydroquinate synthase AroB 0.0225 0.2025 0.4145
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0578 0.5361 0.5325
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0047 0.0103
Echinococcus granulosus lamin dm0 0.0033 0.0206 0.0452
Brugia malayi jmjC domain containing protein 0.0019 0.0078 0.0268
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0309 0.9562
Brugia malayi nuclear receptor NHR-88 0.0012 0.0014 0.0037
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0309 0.0627
Schistosoma mansoni coup transcription factor 0.0012 0.0014 0.0022
Loa Loa (eye worm) hypothetical protein 0.0239 0.2154 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0503 0.1096
Loa Loa (eye worm) carboxylesterase 0.0066 0.052 0.2416
Schistosoma mansoni cpg binding protein 0.0037 0.0245 0.0529
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0242 0.0523
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0014 0.0037
Mycobacterium ulcerans 3-dehydroquinate synthase 0.0225 0.2025 0.2022
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0503 0.1103
Echinococcus granulosus GPCR family 2 0.0019 0.0079 0.0172
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.032 1
Schistosoma mansoni hypothetical protein 0.0041 0.0287 0.0622
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0014 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0503 0.1096
Brugia malayi beta-lactamase 0.0043 0.0309 0.1109
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Onchocerca volvulus 0.0043 0.0309 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.057 0.1248
Loa Loa (eye worm) carboxylesterase 0.0011 0.0004 0.0017
Schistosoma mansoni inositol monophosphatase 0.0045 0.032 0.0693
Echinococcus granulosus lamin 0.0033 0.0206 0.0452
Loa Loa (eye worm) RNA binding protein 0.0064 0.0503 0.2337
Brugia malayi Carboxylesterase family protein 0.0066 0.052 0.1874
Loa Loa (eye worm) hypothetical protein 0.0032 0.0201 0.0932
Schistosoma mansoni 3-dehydroquinate synthase 0.0225 0.2025 0.4432
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0193
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0014 0.0031
Brugia malayi steroid hormone receptor 0.0012 0.0014 0.0037
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0014 0.0022
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0309 0.067
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0588 0.1282
Brugia malayi jmjC domain containing protein 0.0071 0.057 0.2052
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0578 0.5361 0.5359
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0014 0.0022
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.032 1
Echinococcus multilocularis lamin 0.0033 0.0206 0.0452
Mycobacterium leprae Probable lipase LipE 0.0043 0.0309 0.0066
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0063 0.0217
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0588 0.1289
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0519 0.0445
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0309 0.0627
Mycobacterium tuberculosis Conserved protein 0.0043 0.0309 0.0627
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0047 0.0103
Echinococcus multilocularis neuroligin 0.0011 0.0004 0.0008
Trichomonas vaginalis esterase, putative 0.0043 0.0309 0.9664
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Schistosoma mansoni cpg binding protein 0.0035 0.0226 0.0488
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0014 0.0031
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0014 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0014 0.0037
Brugia malayi beta-lactamase family protein 0.0043 0.0309 0.1109
Loa Loa (eye worm) hypothetical protein 0.006 0.0467 0.217
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0079 0.0172
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0014 0.0335
Brugia malayi Inositol-1 0.0045 0.032 0.1147
Leishmania major hypothetical protein, conserved 0.0043 0.0309 0.9562
Loa Loa (eye worm) hypothetical protein 0.0066 0.052 0.2416
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0309 0.0066
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0588 0.1282
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0287 0.1029
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0503 0.2337
Echinococcus granulosus phd:f box containing protein 0.0019 0.0078 0.017
Echinococcus granulosus acetylcholinesterase 0.0066 0.052 0.114
Schistosoma mansoni intermediate filament proteins 0.0033 0.0206 0.0444
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0014 0.0065
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Loa Loa (eye worm) hypothetical protein 0.0019 0.0079 0.0365
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0594 0.1293
Schistosoma mansoni hypothetical protein 0.0019 0.0079 0.0164
Mycobacterium ulcerans chorismate synthase 0.1069 1 1
Schistosoma mansoni hypothetical protein 0.0019 0.0079 0.0164
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0014 0.0031
Loa Loa (eye worm) hypothetical protein 0.0033 0.0206 0.0958
Brugia malayi jmjC domain containing protein 0.0019 0.0078 0.0268
Schistosoma mansoni lamin 0.0033 0.0206 0.0444
Echinococcus multilocularis acetylcholinesterase 0.0066 0.052 0.114
Loa Loa (eye worm) hypothetical protein 0.0041 0.0287 0.1334
Loa Loa (eye worm) hypothetical protein 0.0019 0.0078 0.036
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Onchocerca volvulus 0.0035 0.0226 0.7281
Brugia malayi intermediate filament protein 0.0033 0.0206 0.0735
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0096 0.0211
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0309 0.9664
Loa Loa (eye worm) hypothetical protein 0.0019 0.0078 0.036
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0078 0.0162
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0309 0.0627
Loa Loa (eye worm) hypothetical protein 0.0064 0.0504 0.2338
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.052 0.1133
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0309 0.9562
Echinococcus multilocularis BC026374 protein (S09 family) 0.0011 0.0004 0.0008
Echinococcus granulosus intermediate filament protein 0.0033 0.0206 0.0452
Toxoplasma gondii chorismate synthase, putative 0.1069 1 1
Mycobacterium tuberculosis 3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS) 0.0225 0.2025 0.4145
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0014 0.0022
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0226 0.105
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0503 0.1096
Mycobacterium tuberculosis Probable chorismate synthase AroF (5-enolpyruvylshikimate-3-phosphate phospholyase) 0.0527 0.488 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0014 0.0335
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0014 0.0065
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0014 0.0022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0206 0.0958
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0242 0.053
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.057 0.1248
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0014 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0014 0.0037
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0078 0.017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0309 0.067
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0014 0.0031
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0276 0.0558
Brugia malayi nuclear hormone receptor 0.0012 0.0014 0.0037
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Echinococcus multilocularis GPCR, family 2 0.0019 0.0079 0.0172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0079 0.0172
Schistosoma mansoni jumonji domain containing protein 0.0071 0.057 0.1241
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0014 0.0031
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0309 0.9664
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0014 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Plasmodium vivax chorismate synthase 0.1069 1 1
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0078 0.017
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0078 0.0162
Brugia malayi jmjC domain containing protein 0.0019 0.0078 0.0268
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Schistosoma mansoni cpg binding protein 0.0037 0.0245 0.0529
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0014 0.0037
Mycobacterium ulcerans hypothetical protein 0.0043 0.0309 0.0306
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0309 0.0627
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0063 0.0295
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0309 0.0627
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0014 0.0037
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0467 0.1682
Chlamydia trachomatis UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0353 0.3235 0.1517
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0503 0.1812
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4564 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Schistosoma mansoni hypothetical protein 0.0019 0.0079 0.0164
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0309 0.0234
Echinococcus multilocularis musashi 0.0033 0.0206 0.0452
Schistosoma mansoni hypothetical protein 0.0036 0.0242 0.0523
Schistosoma mansoni hypothetical protein 0.0494 0.4564 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0014 0.0037
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0011 0.0004 0.0008
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0309 0.0678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0014 0.0065
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0014 0.0031
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0014 0.0037
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0309 0.9664
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0079 0.0272
Brugia malayi TAR-binding protein 0.0064 0.0503 0.1812
Echinococcus granulosus carboxylesterase 5A 0.0066 0.052 0.114
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0078 0.017
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0014 0.0022
Onchocerca volvulus 0.0033 0.0206 0.6627
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0014 0.0022
Brugia malayi RNA binding protein 0.0064 0.0503 0.1812
Schistosoma mansoni hypothetical protein 0.0019 0.0079 0.0164
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0014 0.0065
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0309 0.0678
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0078 0.0162
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0078 0.017
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0078 0.036
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0578 0.5361 1
Onchocerca volvulus 0.0012 0.0014 0.0335
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0014 0.0031
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0309 0.9664
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0078 0.017
Echinococcus granulosus neuroligin 0.0011 0.0004 0.0008
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0588 0.2731
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.032 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0079 0.0172
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.032 0.0701
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0353 0.3235 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0309 0.0306
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0014 0.0065
Brugia malayi Carboxylesterase family protein 0.0066 0.052 0.1874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0014 0.0065
Mycobacterium tuberculosis Conserved protein 0.0043 0.0309 0.0627
Loa Loa (eye worm) beta-lactamase 0.0043 0.0309 0.1436
Brugia malayi beta-lactamase family protein 0.0043 0.0309 0.1109
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0467 0.217
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0014 0.0031
Echinococcus granulosus para nitrobenzyl esterase 0.0011 0.0004 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0467 0.1682
Echinococcus granulosus BC026374 protein S09 family 0.0011 0.0004 0.0008
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0096 0.0211
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0242 0.053
Toxoplasma gondii ABC1 family protein 0.0043 0.0309 0.0234
Loa Loa (eye worm) hypothetical protein 0.0012 0.0014 0.0065
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0193
Brugia malayi hypothetical protein 0.0036 0.0242 0.0865
Mycobacterium leprae 3-dehydroquinate synthase AroB 0.0225 0.2025 0.344
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.032 0.0316
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0309 0.0306
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0353 0.3235 0.3232
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0014 0.0022
Onchocerca volvulus 0.0043 0.0309 1
Plasmodium falciparum chorismate synthase 0.1069 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Mycobacterium tuberculosis Conserved protein 0.0043 0.0309 0.0627
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0503 0.2337
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0078 0.0162
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0014 0.0037
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0014 0.0031
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0079 0.0172
Schistosoma mansoni lamin 0.0033 0.0206 0.0444
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0309 0.0627
Echinococcus multilocularis acetylcholinesterase 0.0066 0.052 0.114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0014 0.0031
Mycobacterium ulcerans lipase LipD 0.0043 0.0309 0.0306
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.0353 0.3235 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0014 0.0022
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2522 0.5166
Echinococcus multilocularis cpg binding protein 0.0037 0.0245 0.0537
Onchocerca volvulus 0.0043 0.0309 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0047 0.0219
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0078 0.036
Onchocerca volvulus 0.0033 0.0206 0.6627
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0014 0.0031
Echinococcus granulosus acetylcholinesterase 0.0066 0.052 0.114
Brugia malayi CXXC zinc finger family protein 0.0035 0.0226 0.0807
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0014 0.0031
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0014 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0014 0.0037
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0309 0.1436
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0309 0.0627
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0206 0.0958
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.032 1
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.052 0.114
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0079 0.0272
Loa Loa (eye worm) hypothetical protein 0.0019 0.0078 0.036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0014 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0014 0.0065
Echinococcus granulosus tar DNA binding protein 0.0064 0.0503 0.1103
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.032 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0004 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0014 0.0065
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0078 0.0162
Brugia malayi jmjC domain containing protein 0.0019 0.0078 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0014 0.0037
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0014 0.0031
Echinococcus multilocularis lamin dm0 0.0033 0.0206 0.0452
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.011 0.0942 0.2058
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.032 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0303 0.2761 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0014 0.0037
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4564 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0503 0.1096
Loa Loa (eye worm) carboxylesterase 0.0011 0.0004 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0503 0.1096
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.032 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.032 0.0244
Loa Loa (eye worm) hypothetical protein 0.0066 0.052 0.2416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0309 0.1436
Echinococcus multilocularis para nitrobenzyl esterase 0.0011 0.0004 0.0008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 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) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 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 (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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