Detailed information for compound 868438

Basic information

Technical information
  • TDR Targets ID: 868438
  • Name: 5-fluoro-4-(4-methylpiperazin-1-yl)-2-(4-phen ylpiperazin-1-yl)pyrimidine
  • MW: 356.44 | Formula: C19H25FN6
  • H donors: 0 H acceptors: 2 LogP: 2.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc(ncc1F)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C19H25FN6/c1-23-7-9-25(10-8-23)18-17(20)15-21-19(22-18)26-13-11-24(12-14-26)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
  • InChiKey: FMELALYLOZMLJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-fluoro-4-(4-methyl-1-piperazinyl)-2-(4-phenyl-1-piperazinyl)pyrimidine
  • AM-879/41976437
  • ChemDiv2_002028
  • 5-Fluoro-4-(4-methyl-piperazin-1-yl)-2-(4-phenyl-piperazin-1-yl)-pyrimidine
  • BAS 06667563
  • MLS000062874
  • SMR000073818

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase 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
Trichomonas vaginalis myo inositol monophosphatase, 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
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum hypothetical protein 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
Brugia malayi Inositol-1 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
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
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
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative 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
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative 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
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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
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 306 aa 22.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1119 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 0.0415 0.0415
Brugia malayi nuclear hormone receptor 0.0027 0.0145 0.0145
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 0.0415 0.0414
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0027 0.0145 0.0144
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Echinococcus granulosus ecdysone induced protein 78C 0.0057 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Echinococcus granulosus neuroligin 0.0189 0.161 0.1609
Brugia malayi nuclear receptor NHR-88 0.0027 0.0145 0.0145
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.168 0.1679
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Echinococcus multilocularis BC026374 protein (S09 family) 0.0189 0.161 0.1609
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0307 0.1641
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0027 0.0145 0.0144
Brugia malayi hypothetical protein 0.0189 0.161 0.161
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0298 0.9666
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0298 0.0298
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0415 0.0274
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0497 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 0.0415 0.0414
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0415 0.0415
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0265 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0189 0.161 0.1609
Schistosoma mansoni coup transcription factor 0.0057 0.0415 0.0274
Echinococcus granulosus nuclear receptor nhr 48 0.0027 0.0145 0.0144
Onchocerca volvulus Bile acid receptor homolog 0.0057 0.0415 0.2332
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0174 0.0174
Echinococcus granulosus BC026374 protein S09 family 0.0189 0.161 0.1609
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0217 0.0216
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 0.0415 0.0415
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.161 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Onchocerca volvulus 0.0189 0.161 1
Loa Loa (eye worm) carboxylesterase 0.1119 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2481 0.248
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0173
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0307 0.1641
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0415 0.0414
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 0.0415 0.0274
Brugia malayi conserved hypotetical protein 0.0027 0.0145 0.0145
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0298 0.1586
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7425 0.7424
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 0.0415 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 0.0415 0.0415
Echinococcus multilocularis neuroligin 0.0189 0.161 0.1609
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.003 0.0174 0.0173
Trichomonas vaginalis spcc417.12 protein, putative 0.0189 0.161 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.0415 0.0414
Echinococcus multilocularis nuclear receptor nhr 48 0.0027 0.0145 0.0144
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.003 0.0174 0.0173
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0051 0.005
Echinococcus granulosus geminin 0.0205 0.1751 0.175
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.003 0.0174 0.0173
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0298 0.1586
Brugia malayi Carboxylesterase family protein 0.1119 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.1433 0.1306
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Brugia malayi orphan nuclear receptor NR2E1 0.0027 0.0145 0.0145
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0307 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0415 0.0414
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0298 0.0297
Schistosoma mansoni acetylcholinesterase 0.0189 0.161 0.1487
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0145 0.0145
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0298 0.1586
Loa Loa (eye worm) DR-78 0.0027 0.0145 0.0144
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0298 0.1586
Schistosoma mansoni hypothetical protein 0.0205 0.1751 0.163
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 0.0415 0.0274
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 0.0415 0.0414
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0298 0.9666
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0173
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 0.0415 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 0.0415 0.0415
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.0415 0.0414
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.168 0.1679
Brugia malayi hypothetical protein 0.0286 0.2481 0.2481
Schistosoma mansoni hypothetical protein 0.0043 0.0296 0.0154
Loa Loa (eye worm) acetylcholinesterase 1 0.1119 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0027 0.0145 0.0144
Echinococcus multilocularis cpg binding protein 0.0037 0.0235 0.0234
Brugia malayi nuclear receptor NHR-88 0.0057 0.0415 0.0415
Echinococcus granulosus thyroid hormone receptor alpha 0.0027 0.0145 0.0144
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2481 0.248
Brugia malayi tailless protein 0.0027 0.0145 0.0145
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0298 0.9666
Loa Loa (eye worm) steroid hormone receptor 0.0057 0.0415 0.0414
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 0.0415 0.0274
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.0415 0.0414
Brugia malayi hypothetical protein 0.0027 0.0145 0.0145
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7425 0.7424
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0298 0.1586
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0296 0.0295
Schistosoma mansoni alpha-glucosidase 0.0169 0.1433 0.1306
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0145 0.0603
Echinococcus granulosus acetylcholinesterase 0.1119 1 1
Echinococcus granulosus cpg binding protein 0.0037 0.0235 0.0234
Brugia malayi Carboxylesterase family protein 0.0189 0.161 0.161
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0307 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.2428 0.2427
Onchocerca volvulus 0.0027 0.0145 0.0603
Brugia malayi hypothetical protein 0.0043 0.0296 0.0296
Onchocerca volvulus 0.0114 0.0931 0.5645
Schistosoma mansoni inositol monophosphatase 0.0045 0.0307 0.0164
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1119 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.168 0.1679
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Echinococcus granulosus FTZ F1 alpha 0.0057 0.0415 0.0414
Schistosoma mansoni inositol monophosphatase 0.0045 0.0307 0.0164
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.0415 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 0.0415 0.0415
Brugia malayi ecdysteroid receptor 0.0057 0.0415 0.0415
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 0.0415 0.0274
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 0.0415 0.2332
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Schistosoma mansoni survival motor neuron protein 0.0058 0.043 0.0289
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.168 0.168
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0415 0.0414
Echinococcus granulosus para nitrobenzyl esterase 0.0189 0.161 0.1609
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.0415 0.0414
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.161 0.1487
Brugia malayi nuclear receptor RXR 0.0027 0.0145 0.0145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 0.0415 0.0414
Brugia malayi hypothetical protein 0.003 0.0174 0.0174
Onchocerca volvulus 0.0058 0.043 0.243
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.0415 0.0414
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0298 0.9666
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0298 0.0297
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Echinococcus multilocularis acetylcholinesterase 0.1119 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0415 0.0415
Trypanosoma brucei glucosidase, putative 0.0044 0.0298 0.9666
Schistosoma mansoni alpha glucosidase 0.0044 0.0298 0.0156
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0307 0.1641
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0298 0.1586
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0298 0.1586
Brugia malayi ecdysone receptor 0.0027 0.0145 0.0145
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0189 0.161 1
Echinococcus multilocularis acetylcholinesterase 0.1119 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0568 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0415 0.0415
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0145 0.0144
Schistosoma mansoni neuroligin 3 (S09 family) 0.0189 0.161 0.1487
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.161 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0145 0.0144
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0145 0.0144
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0298 0.0297
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0296 0.0154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0415 0.0414
Echinococcus granulosus carboxylesterase 5A 0.1119 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.0415 0.0415
Schistosoma mansoni retinoic acid receptor RXR 0.0057 0.0415 0.0274
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0307 0.0306
Schistosoma mansoni cpg binding protein 0.0037 0.0235 0.0091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 0.0415 0.0414
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0027 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.003 0.0174 0.0029
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.0415 0.0414
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 0.0415 0.0414
Brugia malayi hypothetical protein 0.003 0.0174 0.0174
Mycobacterium tuberculosis Carboxylesterase LipT 0.0189 0.161 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0298 0.9666
Onchocerca volvulus 0.0189 0.161 1
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0415 0.0274
Schistosoma mansoni hypothetical protein 0.0058 0.043 0.0289
Echinococcus granulosus acetylcholinesterase 0.1119 1 1
Onchocerca volvulus 0.0189 0.161 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0174 0.0174
Brugia malayi steroid hormone receptor 0.0057 0.0415 0.0415
Onchocerca volvulus 0.0035 0.0217 0.1066
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0417 0.367 0.3577
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0189 0.161 0.1609
Loa Loa (eye worm) carboxylesterase 0.0189 0.161 0.1609
Brugia malayi CXXC zinc finger family protein 0.0035 0.0217 0.0217
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 0.0415 0.0274
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0298 0.1586
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0027 0.0145 0.0144
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0307 0.0306
Brugia malayi nuclear receptor RXR 0.003 0.0174 0.0174
Brugia malayi nuclear receptor NHR-67 0.0027 0.0145 0.0145
Echinococcus multilocularis geminin 0.0205 0.1751 0.175
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.161 0.1487
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0189 0.161 0.1609
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0415 0.0415
Brugia malayi follicle stimulating hormone receptor 0.028 0.2428 0.2428
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.0415 0.0414
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.0415 0.0414
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8741 0.8741
Schistosoma mansoni cpg binding protein 0.0037 0.0235 0.0091
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 0.0415 0.0414
Loa Loa (eye worm) carboxylesterase 0.0189 0.161 0.1609
Echinococcus granulosus Nuclear hormone receptor HR96 0.0027 0.0145 0.0144
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0027 0.0145 0.0144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.0415 0.0274
Brugia malayi Steroid receptor seven-up type 2 0.0057 0.0415 0.0415
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0174 0.0029
Brugia malayi Carboxylesterase family protein 0.0189 0.161 0.161
Brugia malayi Nuclear hormone receptor E75 0.0027 0.0145 0.0145
Entamoeba histolytica hypothetical protein 0.0043 0.0296 0.9592
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 0.0415 0.0415
Onchocerca volvulus 0.0057 0.0415 0.2332
Loa Loa (eye worm) nuclear hormone receptor 0.0027 0.0145 0.0144
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0027 0.0145 0.0603
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0298 0.1586
Schistosoma mansoni BC026374 protein (S09 family) 0.0189 0.161 0.1487
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0307 1
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0415 0.0274
Onchocerca volvulus 0.0027 0.0145 0.0603
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.161 0.1487
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0027 0.0145 0.0144
Echinococcus multilocularis para nitrobenzyl esterase 0.0189 0.161 0.1609
Brugia malayi nuclear hormone receptor 0.0057 0.0415 0.0415
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 0.0415 0.0415
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 0.0415 0.0274
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 0.0415 0.2332
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0145 0.0144
Onchocerca volvulus 0.0189 0.161 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0173
Entamoeba histolytica hypothetical protein 0.0043 0.0296 0.9592
Schistosoma mansoni hypothetical protein 0.0205 0.1751 0.163
Brugia malayi nuclear hormone receptor family member nhr-6 0.0027 0.0145 0.0145
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.0415 0.0414
Entamoeba histolytica hypothetical protein 0.0043 0.0296 0.9592
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0296 0.0295
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.168 0.1679
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0307 0.0429
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Brugia malayi nuclear hormone receptor family member odr-7 0.0027 0.0145 0.0145
Mycobacterium ulcerans carboxylesterase, LipT 0.0189 0.161 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0145 0.0144
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0415 0.0415
Schistosoma mansoni RAR-like nuclear receptor 0.0057 0.0415 0.0274
Entamoeba histolytica hypothetical protein 0.0043 0.0296 0.9592
Brugia malayi Inositol-1 0.0045 0.0307 0.0307
Brugia malayi Carboxylesterase family protein 0.0189 0.161 0.161
Echinococcus multilocularis carboxylesterase 5A 0.1119 1 1
Loa Loa (eye worm) hypothetical protein 0.1119 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.2481 0.248
Schistosoma mansoni cpg binding protein 0.0035 0.0217 0.0073
Loa Loa (eye worm) hypothetical protein 0.003 0.0174 0.0173
Onchocerca volvulus 0.0189 0.161 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0415 0.0414
Brugia malayi hypothetical protein 0.0027 0.0145 0.0145
Loa Loa (eye worm) inositol-1 0.0045 0.0307 0.0306
Brugia malayi Carboxylesterase family protein 0.0189 0.161 0.161
Schistosoma mansoni gliotactin 0.0189 0.161 0.1487
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0307 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7425 0.7387

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.5821 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 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) 22.3872 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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

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

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

Annotated phenotypes:

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