Detailed information for compound 1253957

Basic information

Technical information
  • TDR Targets ID: 1253957
  • Name: 2-phenyl-4-phenylsulfonyl-N-(pyridin-3-ylmeth yl)-1,3-oxazol-5-amine
  • MW: 391.443 | Formula: C21H17N3O3S
  • H donors: 1 H acceptors: 4 LogP: 4.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1nc(oc1NCc1cccnc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C21H17N3O3S/c25-28(26,18-11-5-2-6-12-18)21-20(23-15-16-8-7-13-22-14-16)27-19(24-21)17-9-3-1-4-10-17/h1-14,23H,15H2
  • InChiKey: OEJAHZUNEPRVCN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-phenyl-4-phenylsulfonyl-N-(3-pyridylmethyl)oxazol-5-amine
  • 2-phenyl-4-phenylsulfonyl-N-(3-pyridylmethyl)-5-oxazolamine
  • (2-phenyl-4-phenylsulfonyl-oxazol-5-yl)-(3-pyridylmethyl)amine
  • MLS000082142
  • SMR000061333
  • Oprea1_655139
  • T0508-7426

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0342 0.0059
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0663 0.1261
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.0239 0.0491
Schistosoma mansoni pyruvate kinase 0.0033 0.0285 0.0475
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.0239 0.0491
Onchocerca volvulus 0.005 0.0479 0.0501
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0224 0.2545 0.2296
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0073 0.0075
Loa Loa (eye worm) hypothetical protein 0.0049 0.0466 0.0548
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Trypanosoma brucei pyruvate kinase 1 0.0065 0.0657 0.1503
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0073 0.0075
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0657 0.1503
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0239 0.022
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0037
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0073 0.0086
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0728 0.8498 0.8448
Entamoeba histolytica hypothetical protein 0.0043 0.0406 0.0085
Loa Loa (eye worm) hypothetical protein 0.0065 0.0657 0.0773
Brugia malayi Pyruvate kinase, M2 isozyme 0.0065 0.0657 0.0715
Echinococcus granulosus tar DNA binding protein 0.0065 0.0663 0.1361
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.358 0.4177
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0239 0.0381
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0479 0.0504
Loa Loa (eye worm) hypothetical protein 0.0015 0.0073 0.0086
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0663 0.1261
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0056 0.0003
Schistosoma mansoni pyruvate kinase 0.0065 0.0657 0.1249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0214 0.0252
Onchocerca volvulus 0.0028 0.022 0.0195
Loa Loa (eye worm) pyruvate kinase-PB 0.0045 0.0426 0.0501
Schistosoma mansoni hypothetical protein 0.0331 0.3801 0.7778
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.2545 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0056 0.0003
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0835 0.9763 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0239 0.022
Schistosoma mansoni intermediate filament proteins 0.0028 0.022 0.0342
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0056 0.0066
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0036 0.0323 0.5
Schistosoma mansoni pyruvate kinase 0.0065 0.0657 0.1249
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.0239 0.0245
Echinococcus multilocularis pyruvate kinase 0.0033 0.0285 0.0292
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0663 0.1261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0239 0.0491
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0056 0.0057
Echinococcus multilocularis lamin dm0 0.0028 0.022 0.0225
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0056 0.0057
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0554 0.7237
Brugia malayi nuclear receptor RXR 0.0014 0.0056 0.0003
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0406 0.0416
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0239 0.022
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0239 0.022
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0073 0.0151
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0036 0.0323 0.0331
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0239 0.0281
Brugia malayi CXXC zinc finger family protein 0.003 0.0241 0.0223
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0073 0.0151
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0342 0.035
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0728 0.8498 0.8448
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0037
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0056 0.0057
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.0239 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0239 0.022
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0855 1 1
Echinococcus granulosus pyruvate kinase 0.0065 0.0657 0.1349
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Schistosoma mansoni cpg binding protein 0.0031 0.0261 0.0427
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0056 0.0057
Schistosoma mansoni lamin 0.0028 0.022 0.0342
Echinococcus multilocularis lamin 0.0028 0.022 0.0225
Schistosoma mansoni survival motor neuron protein 0.005 0.0479 0.0879
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0418 0.483 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0239 0.022
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0036 0.0323 0.0664
Schistosoma mansoni ap endonuclease 0.0036 0.0323 0.0556
Schistosoma mansoni hypothetical protein 0.0033 0.0284 0.0475
Echinococcus multilocularis pyruvate kinase 0.0033 0.0285 0.0292
Loa Loa (eye worm) hypothetical protein 0.0016 0.0075 0.0089
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0342 0.0702
Schistosoma mansoni hypothetical protein 0.0421 0.4871 1
Brugia malayi RNA binding protein 0.0065 0.0663 0.0722
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0239 0.0281
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0056 0.0003
Entamoeba histolytica pyruvate kinase, putative 0.0045 0.0426 0.0106
Schistosoma mansoni ap endonuclease 0.0036 0.0323 0.0556
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0056 0.0066
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2442 0.219
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0342 0.0084
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0065 0.0657 0.0605
Loa Loa (eye worm) hypothetical protein 0.0033 0.0284 0.0334
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.2312 0.2673
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0056 0.0057
Schistosoma mansoni hypothetical protein 0.005 0.0479 0.0879
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0075 0.0077
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0342 0.0702
Echinococcus multilocularis geminin 0.0331 0.3801 0.3893
Brugia malayi hypothetical protein 0.0014 0.0056 0.0003
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0239 0.0381
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0239 0.0381
Entamoeba histolytica hypothetical protein 0.0043 0.0406 0.0085
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Entamoeba histolytica hypothetical protein 0.0043 0.0406 0.0085
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0056 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0056 0.0057
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Onchocerca volvulus 0.003 0.0241 0.022
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0036 0.0323 0.038
Brugia malayi nuclear hormone receptor 0.0014 0.0056 0.0003
Loa Loa (eye worm) hypothetical protein 0.0013 0.005 0.0059
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.022 0.0198
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0056 0.0114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0056 0.0114
Loa Loa (eye worm) hypothetical protein 0.0126 0.1383 0.1628
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0239 0.0245
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0728 0.8498 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0065 0.0657 0.1503
Loa Loa (eye worm) hypothetical protein 0.0016 0.0075 0.0089
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0657 0.0773
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0239 0.0281
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0728 0.8498 0.8448
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0342 0.0019
Echinococcus multilocularis pyruvate kinase 0.0033 0.0285 0.0292
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.0239 0.0491
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0052
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0073 0.0024
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0657 0.0345
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0728 0.8498 0.8448
Onchocerca volvulus Huntingtin homolog 0.0126 0.1383 0.1572
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0342 0.035
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0342 0.0595
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0657 0.0773
Echinococcus granulosus dnaJ subfamily B 0.0421 0.4871 1
Onchocerca volvulus 0.0028 0.022 0.0195
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0239 0.0381
Loa Loa (eye worm) hypothetical protein 0.0016 0.0075 0.0089
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0503 0.5845 1
Brugia malayi hypothetical protein 0.0016 0.0075 0.0026
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.0239 0.0491
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Brugia malayi exodeoxyribonuclease III family protein 0.0036 0.0323 0.032
Onchocerca volvulus 0.0728 0.8498 1
Echinococcus granulosus pyruvate kinase 0.0065 0.0657 0.1349
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0342 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0663 0.1261
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.0323 0.1038
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.0239 0.0245
Onchocerca volvulus Huntingtin homolog 0.0126 0.1383 0.1572
Brugia malayi tailless protein 0.0014 0.0056 0.0003
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0239 0.022
Onchocerca volvulus 0.0029 0.0239 0.0217
Echinococcus granulosus intermediate filament protein 0.0028 0.022 0.0452
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0342 0.035
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0239 0.0381
Schistosoma mansoni lamin 0.0028 0.022 0.0342
Brugia malayi hypothetical protein 0.0243 0.277 0.3218
Echinococcus granulosus lamin 0.0028 0.022 0.0452
Loa Loa (eye worm) pyruvate kinase 0.0014 0.0053 0.0062
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0418 0.483 0.5513
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0342 0.0084
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0224 0.2545 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0342 0.0595
Echinococcus multilocularis musashi 0.0028 0.022 0.0225
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2442 0.219
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0239 0.0381
Echinococcus multilocularis cpg binding protein 0.0031 0.0261 0.0268
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.005 0.0103
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0284 0.0274
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0075 0.0041
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0239 0.022
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0728 0.8498 0.8454
Echinococcus granulosus GPCR family 2 0.0015 0.0073 0.0151
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0657 0.0712
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0239 0.022
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0056 0.0114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0056 0.0114
Leishmania major hypothetical protein, conserved 0.0224 0.2545 1
Treponema pallidum fructose-bisphosphate aldolase 0.0855 1 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.0663 0.078
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.0239 0.0217
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Brugia malayi hypothetical protein 0.0016 0.0075 0.0026
Loa Loa (eye worm) pyruvate kinase 0.0065 0.0657 0.0773
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.0239 0.0491
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0073 0.0024
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0068 0.0017
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0036 0.0323 0.1038
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0056 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Chlamydia trachomatis pyruvate kinase 0.0065 0.0657 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0406 0.0833
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0466 0.0489
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.277 0.2838
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0239 0.0491
Plasmodium vivax pyruvate kinase, putative 0.0065 0.0657 1
Brugia malayi nuclear receptor NHR-67 0.0014 0.0056 0.0003
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0728 0.8498 0.8448
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0342 0.0702
Loa Loa (eye worm) hypothetical protein 0.0028 0.022 0.0259
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0224 0.2545 0.2296
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Echinococcus multilocularis pyruvate kinase 0.0051 0.0496 0.0508
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0728 0.8498 0.8448
Mycobacterium ulcerans pyruvate kinase 0.0065 0.0657 0.0408
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Loa Loa (eye worm) hypothetical protein 0.0016 0.0075 0.0089
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0075 0.0026
Loa Loa (eye worm) hypothetical protein 0.0013 0.0044 0.0052
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0075 0.0041
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.0239 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0056 0.0114
Echinococcus granulosus geminin 0.0331 0.3801 0.7803
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0239 0.0381
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0068 0.008
Brugia malayi intermediate filament protein 0.0028 0.022 0.0198
Brugia malayi nuclear receptor RXR 0.0016 0.0075 0.0026
Schistosoma mansoni hypothetical protein 0.0331 0.3801 0.7778
Trypanosoma cruzi hypothetical protein, conserved 0.0224 0.2545 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0239 0.0381
Loa Loa (eye worm) hypothetical protein 0.0016 0.0075 0.0089
Echinococcus multilocularis pyruvate kinase 0.0065 0.0657 0.0673
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0239 0.022
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.005 0.0051
Brugia malayi nuclear receptor NHR-88 0.0014 0.0056 0.0003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0239 0.0245
Echinococcus multilocularis pyruvate kinase 0.0065 0.0657 0.0673
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Trichomonas vaginalis pyruvate kinase, putative 0.0065 0.0657 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0239 0.0281
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0418 0.483 0.8161
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0056 0.0066
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.358 0.4213
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Loa Loa (eye worm) hypothetical protein 0.0126 0.1383 0.1628
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0239 0.0381
Loa Loa (eye worm) hypothetical protein 0.0045 0.0426 0.0501
Leishmania major pyruvate kinase 0.0065 0.0657 0.1503
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0342 0.0019
Brugia malayi Pyruvate kinase, muscle isozyme 0.0065 0.0657 0.0715
Brugia malayi TAR-binding protein 0.0065 0.0663 0.0722
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0342 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0239 0.022
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0239 0.022
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0239 0.022
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0342 0.0342
Brugia malayi ecdysone receptor 0.0014 0.0056 0.0003
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Echinococcus granulosus FTZ F1 alpha 0.0029 0.0239 0.0491
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0075 0.0026
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0657 0.0712
Toxoplasma gondii pyruvate kinase PyK1 0.0065 0.0657 1
Entamoeba histolytica hypothetical protein 0.0043 0.0406 0.0085
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0728 0.8498 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.022 0.0259
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.277 0.5688
Brugia malayi ecdysteroid receptor 0.0029 0.0239 0.022
Loa Loa (eye worm) hypothetical protein 0.0243 0.277 0.326
Giardia lamblia Fructose-bisphosphate aldolase 0.0855 1 1
Toxoplasma gondii exonuclease III APE 0.0036 0.0323 0.1038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0239 0.0381
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0663 0.1261
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0406 0.0727
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0466 0.0548
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.0239 0.0217
Loa Loa (eye worm) hypothetical protein 0.0029 0.0239 0.0281
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0342 0.0019
Schistosoma mansoni hypothetical protein 0.0015 0.0073 0.0037
Echinococcus multilocularis dnaJ subfamily B 0.0421 0.4871 0.4989
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0056 0.0114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0663 0.078
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.0239 0.0381
Echinococcus granulosus lamin dm0 0.0028 0.022 0.0452
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.022 0.0259
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.002 0.0123 0.0083
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.0239 0.022
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0239 0.0281
Trypanosoma brucei pyruvate kinase 1, putative 0.0065 0.0657 0.1503
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0075 0.0155
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0239 0.0281
Schistosoma mansoni hypothetical protein 0.0043 0.0406 0.0727
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0056 0.0003
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0239 0.0381
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.0239 0.0245
Schistosoma mansoni coup transcription factor 0.0029 0.0239 0.0381
Brugia malayi nuclear receptor NHR-88 0.0029 0.0239 0.022
Loa Loa (eye worm) DR-78 0.0014 0.0056 0.0066
Loa Loa (eye worm) hypothetical protein 0.0038 0.0342 0.0402
Brugia malayi conserved hypotetical protein 0.0014 0.0056 0.0003
Giardia lamblia Pyruvate kinase 0.0065 0.0657 0.0383
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.2312 0.2055
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0728 0.8498 0.8448
Echinococcus granulosus pyruvate kinase 0.0033 0.0285 0.0584
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.0239 0.0245
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.0239 0.0491
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.0239 0.0217
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Brugia malayi hypothetical protein 0.0126 0.1383 0.1575
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0342 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0663 0.0722
Brugia malayi steroid hormone receptor 0.0029 0.0239 0.022
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0633 0.12
Echinococcus granulosus cpg binding protein 0.0031 0.0261 0.0537
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0239 0.022
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0036 0.0323 0.004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0239 0.022
Echinococcus granulosus pyruvate kinase 0.0033 0.0285 0.0584
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0728 0.8498 1
Leishmania major pyruvate kinase 0.0065 0.0657 0.1503
Brugia malayi hypothetical protein 0.0043 0.0406 0.0418
Brugia malayi hypothetical protein 0.0014 0.0056 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0466 0.0489
Schistosoma mansoni cpg binding protein 0.003 0.0241 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0239 0.0281
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.358 0.3366
Brugia malayi nuclear hormone receptor 0.0029 0.0239 0.022
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.0239 0.0245
Echinococcus multilocularis GPCR, family 2 0.0015 0.0073 0.0075
Loa Loa (eye worm) hypothetical protein 0.0014 0.0056 0.0066
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0241 0.0284
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0075 0.0089
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0663 0.078
Echinococcus granulosus pyruvate kinase 0.0033 0.0285 0.0584
Onchocerca volvulus Pyruvate kinase homolog 0.0065 0.0657 0.0712
Schistosoma mansoni cpg binding protein 0.0031 0.0261 0.0427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0239 0.0281
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0663 0.0679
Plasmodium falciparum pyruvate kinase 0.0065 0.0657 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0728 0.8498 0.8448
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0855 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2936 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.2 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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