Detailed information for compound 1401283

Basic information

Technical information
  • TDR Targets ID: 1401283
  • Name: 3-[2,4-bis(difluoromethoxy)phenyl]-1-(3,3-dim ethylbutan-2-yl)thiourea
  • MW: 368.39 | Formula: C15H20F4N2O2S
  • H donors: 1 H acceptors: 0 LogP: 5.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Oc1cc(ccc1NC(=NC(C(C)(C)C)C)S)OC(F)F)F
  • InChi: 1S/C15H20F4N2O2S/c1-8(15(2,3)4)20-14(24)21-10-6-5-9(22-12(16)17)7-11(10)23-13(18)19/h5-8,12-13H,1-4H3,(H2,20,21,24)
  • InChiKey: XOAZEISOVKGUTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2,4-bis(difluoromethoxy)phenyl]-1-(1,2,2-trimethylpropyl)thiourea
  • T0508-8262
  • MLS000402469
  • SMR000263786

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 glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D 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
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.1472 0.1933 0.5021
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0114 0.0099 0.0092
Mycobacterium tuberculosis Conserved protein 0.0114 0.0099 0.0092
Trypanosoma brucei developmentally regulated phosphoprotein 0.0114 0.0099 0.0235
Onchocerca volvulus DNA topoisomerase 2 homolog 0.1695 0.2234 1
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0015 0.0027
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0114 0.0099 0.0092
Echinococcus granulosus thymidylate synthase 0.0111 0.0095 0.0389
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0009 0.001
Plasmodium falciparum DNA topoisomerase 3, putative 0.0259 0.0295 0.0286
Trypanosoma cruzi DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0114 0.0099 0.0092
Trypanosoma cruzi heat shock protein 85, putative 0.0114 0.0099 0.0235
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0015 0.0015
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0114 0.0099 0.0092
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0015 0.0025
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Trichomonas vaginalis DNA topoisomerase II, putative 0.1731 0.2282 1
Plasmodium falciparum heat shock protein 90 0.0114 0.0099 0.009
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0114 0.0099 0.0092
Trypanosoma cruzi DNA topoisomerase II, putative 0.1472 0.1933 0.5021
Echinococcus granulosus heat shock protein 90 0.0114 0.0099 0.0406
Mycobacterium ulcerans putative regultory protein 0.0114 0.0099 0.0092
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0015 0.0035
Toxoplasma gondii DNA topoisomerase 2, putative 0.1731 0.2282 0.2275
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0015 0.0015
Plasmodium vivax heat shock protein 86, putative 0.0114 0.0099 0.009
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0114 0.0099 0.0092
Plasmodium vivax DNA gyrase subunit B, putative 0.3478 0.4641 0.4636
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0015 0.0016
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0015 0.0015
Echinococcus multilocularis heat shock protein 0.0114 0.0099 0.0406
Loa Loa (eye worm) hypothetical protein 0.0114 0.0099 0.0406
Echinococcus granulosus heat shock protein 0.0114 0.0099 0.0406
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0259 0.0295 0.0198
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0114 0.0099 0.0204
Leishmania major DNA topoisomerase 1A 0.0259 0.0295 0.0746
Chlamydia trachomatis DNA gyrase subunit B 0.3478 0.4641 0.4637
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0092 0.0375
Trypanosoma brucei Heat shock protein 83, putative 0.0114 0.0099 0.0235
Trichomonas vaginalis receptor histidine kinase, putative 0.0114 0.0099 0.0396
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.2028 0.2684 0.2677
Onchocerca volvulus DNA topoisomerase 2 homolog 0.1695 0.2234 1
Trypanosoma brucei DNA topoisomerase ii 0.2886 0.3841 1
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Toxoplasma gondii heat shock protein HSP90 0.0114 0.0099 0.009
Leishmania major DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Plasmodium vivax DNA topoisomerase II, putative 0.1731 0.2282 0.2275
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0092 0.0375
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0114 0.0099 0.0396
Leishmania major hypothetical protein, conserved 0.0114 0.0099 0.0235
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0015 0.0015
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0156 0.0156 0.0147
Echinococcus multilocularis geminin 0.0164 0.0167 0.0705
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0114 0.0099 0.0092
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0114 0.0099 0.0396
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.1695 0.2234 1
Onchocerca volvulus 0.0259 0.0295 0.1285
Schistosoma mansoni dihydrofolate reductase 0.0045 0.0007 0.003
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0259 0.0295 0.1293
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0259 0.0295 0.1267
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0114 0.0099 0.0092
Loa Loa (eye worm) DNA topoisomerase III 0.0259 0.0295 0.1267
Entamoeba histolytica heat shock protein 90, putative 0.0114 0.0099 0.0396
Brugia malayi thymidylate synthase 0.0111 0.0095 0.0389
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0015 0.0006
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.1183 0.1542 0.3386
Leishmania major DNA topoisomerase ii 0.1472 0.1933 0.5021
Trichomonas vaginalis endoplasmin, putative 0.0114 0.0099 0.0396
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Mycobacterium ulcerans DNA gyrase subunit B 0.3478 0.4641 0.4637
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0114 0.0099 0.0092
Brugia malayi GRF zinc finger family protein 0.0259 0.0295 0.1267
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0114 0.0099 0.0092
Trypanosoma cruzi heat shock protein 90, putative 0.0114 0.0099 0.0235
Schistosoma mansoni hypothetical protein 0.0164 0.0167 0.0733
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0114 0.0099 0.0092
Brugia malayi Endoplasmin precursor 0.0114 0.0099 0.0406
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0114 0.0099 0.0092
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Brugia malayi hypothetical protein 0.0053 0.0017 0.0045
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0179 0.0443
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0111 0.0095 0.0195
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.3478 0.4641 0.4637
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0438 0.112
Treponema pallidum DNA topoisomerase I (topA) 0.0259 0.0295 0.0198
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0156 0.0156 0.0384
Echinococcus multilocularis protein kinase shaggy 0.0047 0.0009 0.001
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0015 0.0035
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0205 0.0198
Trypanosoma brucei protein kinase, putative 0.0051 0.0015 0.0015
Entamoeba histolytica DNA topoisomerase III, putative 0.0259 0.0295 0.1258
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0114 0.0099 0.0092
Giardia lamblia DNA topoisomerase II 0.1617 0.2129 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0114 0.0099 0.0235
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0259 0.0295 0.1267
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0015 0.0025
Trypanosoma cruzi heat shock protein 90, putative 0.0114 0.0099 0.0235
Echinococcus multilocularis rho GTPase activating protein 20 0.0259 0.0295 0.1267
Trichomonas vaginalis heat shock protein, putative 0.0114 0.0099 0.0396
Mycobacterium tuberculosis Probable two component sensor kinase 0.0114 0.0099 0.0092
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0114 0.0099 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0015 0.0065
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Mycobacterium ulcerans hypothetical protein 0.0192 0.0205 0.0198
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Trypanosoma cruzi DNA topoisomerase II, putative 0.1472 0.1933 0.5021
Onchocerca volvulus 0.0111 0.0095 0.0387
Echinococcus granulosus geminin 0.0164 0.0167 0.0705
Loa Loa (eye worm) hypothetical protein 0.0615 0.0776 0.338
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0114 0.0099 0.0396
Brugia malayi MAP kinase sur-1 0.0051 0.0015 0.0035
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Giardia lamblia DNA topoisomerase III 0.0259 0.0295 0.1349
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0114 0.0099 0.0092
Schistosoma mansoni heat shock protein 0.0114 0.0099 0.0435
Loa Loa (eye worm) TOPoisomerase family member 0.1731 0.2282 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.3478 0.4641 0.4587
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0259 0.0295 0.0746
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.0009 0.001
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0179 0.0443
Schistosoma mansoni heat shock protein 0.0114 0.0099 0.0435
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0114 0.0099 0.0235
Giardia lamblia Pms1-like protein 0.0114 0.0099 0.0424
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0156 0.0156 0.0147
Plasmodium falciparum endoplasmin, putative 0.0114 0.0099 0.009
Brugia malayi Probable DNA topoisomerase II 0.1731 0.2282 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0015 0.0016
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0114 0.0099 0.0406
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0114 0.0099 0.009
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0015 0.0035
Mycobacterium tuberculosis Possible two component sensor kinase 0.0114 0.0099 0.0092
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0259 0.0295 0.0636
Echinococcus multilocularis thymidylate synthase 0.0111 0.0095 0.0389
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0259 0.0295 0.0746
Plasmodium falciparum DNA topoisomerase 2 0.1731 0.2282 0.2275
Trypanosoma cruzi heat shock protein 85, putative 0.0114 0.0099 0.0235
Leishmania major DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.2886 0.3841 1
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0114 0.0099 0.0235
Schistosoma mansoni endoplasmin 0.0114 0.0099 0.0435
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0259 0.0295 0.1258
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0015 0.0016
Trypanosoma brucei DNA topoisomerase IA, putative 0.0259 0.0295 0.0746
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0156 0.0156 0.0384
Mycobacterium tuberculosis Hypothetical protein 0.0053 0.0017 0.001
Trypanosoma cruzi DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Loa Loa (eye worm) hypothetical protein 0.0182 0.0192 0.0815
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0259 0.0295 0.1267
Brugia malayi kinase, mitochondrial precursor 0.0114 0.0099 0.0406
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0114 0.0099 0.009
Loa Loa (eye worm) endoplasmin 0.0114 0.0099 0.0406
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0015 0.0016
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0114 0.0099 0.0092
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0114 0.0099 0.0092
Schistosoma mansoni pyruvate dehydrogenase 0.0114 0.0099 0.0435
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0017 0.0034
Brugia malayi intracellular kinase 0.0047 0.0009 0.001
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0114 0.0099 0.0092
Chlamydia trachomatis DNA gyrase subunit A 0.0821 0.1055 0.1049
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0092 0.0375
Loa Loa (eye worm) hypothetical protein 0.0885 0.1141 0.4983
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.003 0.0055
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0114 0.0099 0.0396
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0114 0.0099 0.0092
Entamoeba histolytica heat shock protein 90, putative 0.0114 0.0099 0.0396
Toxoplasma gondii DNA topoisomerase family protein 0.0259 0.0295 0.0286
Schistosoma mansoni hypothetical protein 0.0074 0.0046 0.0202
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0111 0.0095 0.0089
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0259 0.0295 0.1267
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0015 0.0025
Brugia malayi hypothetical protein 0.0182 0.0192 0.0815
Loa Loa (eye worm) heat shock protein 90 0.0114 0.0099 0.0406
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0053 0.0017 0.002
Echinococcus granulosus DNA topoisomerase 2 alpha 0.1731 0.2282 1
Mycobacterium leprae Probable two-component sensor kinase 0.0114 0.0099 0.0204
Trypanosoma brucei DNA topoisomerase II beta, putative 0.1472 0.1933 0.5021
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Echinococcus granulosus protein kinase shaggy 0.0047 0.0009 0.001
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.0009 0.004
Trypanosoma cruzi heat shock protein 85, putative 0.0114 0.0099 0.0235
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0015 0.0035
Mycobacterium ulcerans two component regulator - sensor kinase 0.0114 0.0099 0.0092
Echinococcus multilocularis heat shock protein 90 0.0114 0.0099 0.0406
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0009 0.001
Brugia malayi DNA topoisomerase III beta-1 0.0259 0.0295 0.1267
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0111 0.0095 0.0418
Toxoplasma gondii heat shock protein 90, putative 0.0114 0.0099 0.009
Plasmodium falciparum DNA gyrase subunit B 0.3478 0.4641 0.4636
Entamoeba histolytica DNA topoisomerase II, putative 0.1731 0.2282 1
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0114 0.0099 0.0204
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Leishmania major mitochondrial DNA topoisomerase II 0.2886 0.3841 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.0438 0.112
Entamoeba histolytica DNA topoisomerase III, putative 0.0259 0.0295 0.1258
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0015 0.0015
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0114 0.0099 0.0406
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0259 0.0295 0.0286
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.1731 0.2282 1
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0114 0.0099 0.0235
Loa Loa (eye worm) hypothetical protein 0.0615 0.0776 0.338
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.2886 0.3841 1
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.0438 0.112
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.0009 0.001
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0046 0.0172
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0015 0.0015
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.0438 0.112
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0259 0.0295 0.1293
Loa Loa (eye worm) hypothetical protein 0.0108 0.0092 0.0375
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0156 0.0156 0.0147
Trypanosoma brucei DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Trichomonas vaginalis receptor histidine kinase, putative 0.0114 0.0099 0.0396
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Trypanosoma brucei heat shock protein 90, putative 0.0114 0.0099 0.0235
Plasmodium vivax endoplasmin, putative 0.0114 0.0099 0.009
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Brugia malayi heat shock protein 90 0.0114 0.0099 0.0406
Schistosoma mansoni hypothetical protein 0.0164 0.0167 0.0733
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.3405 0.4541 1
Onchocerca volvulus 0.0182 0.0192 0.0823
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0015 0.0025
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Loa Loa (eye worm) thymidylate synthase 0.0111 0.0095 0.0389
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0156 0.0156 0.0384
Trichomonas vaginalis heat shock protein, putative 0.0114 0.0099 0.0396
Schistosoma mansoni endoplasmin 0.0114 0.0099 0.0435
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Mycobacterium ulcerans two component sensor kinase MprB 0.0114 0.0099 0.0092
Plasmodium vivax DNA topoisomerase 3, putative 0.0259 0.0295 0.0286
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Chlamydia trachomatis DNA topoisomerase I 0.0259 0.0295 0.0288
Mycobacterium ulcerans DNA topoisomerase I 0.0259 0.0295 0.0288
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0114 0.0099 0.0092
Mycobacterium leprae Probable two component sensor kinase MprB 0.0114 0.0099 0.0204
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0179 0.0443
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0259 0.0295 0.1258
Mycobacterium ulcerans thymidylate synthase 0.0111 0.0095 0.0089
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.3478 0.4641 0.4587
Trypanosoma brucei DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.1731 0.2282 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0015 0.0035
Leishmania major developmentally regulated phosphoprotein-like protein 0.0114 0.0099 0.0235
Plasmodium vivax hypothetical protein, conserved 0.0114 0.0099 0.009
Trichomonas vaginalis sensor histidine kinase, putative 0.0114 0.0099 0.0396
Giardia lamblia DNA topoisomerase III 0.0259 0.0295 0.1349
Brugia malayi DNA topoisomerase III 0.0259 0.0295 0.1267
Trypanosoma brucei heat shock protein 90, putative 0.0114 0.0099 0.0235
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0015 0.0015
Leishmania major heat shock protein 83-1 0.0114 0.0099 0.0235
Loa Loa (eye worm) hypothetical protein 0.0074 0.0046 0.0172
Schistosoma mansoni DNA topoisomerase II 0.1731 0.2282 1
Toxoplasma gondii hypothetical protein 0.0059 0.0025 0.0016
Trypanosoma cruzi DNA topoisomerase III, putative 0.0259 0.0295 0.0746
Loa Loa (eye worm) hypothetical protein 0.0885 0.1141 0.4983
Chlamydia trachomatis DNA gyrase subunit B 0.2323 0.3082 0.3077
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0114 0.0099 0.0406
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0114 0.0099 0.0396
Trypanosoma brucei heat shock protein, putative 0.0114 0.0099 0.0235
Brugia malayi DNA topoisomerase II, alpha isozyme 0.1731 0.2282 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0114 0.0099 0.0424

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1259 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 13.1154 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) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (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) 32.6427 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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