Detailed information for compound 664815

Basic information

Technical information
  • TDR Targets ID: 664815
  • Name: 1-(4-chlorophenyl)-4-thiophen-2-ylsulfonylpip erazine
  • MW: 342.864 | Formula: C14H15ClN2O2S2
  • H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
  • InChi: 1S/C14H15ClN2O2S2/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)21(18,19)14-2-1-11-20-14/h1-6,11H,7-10H2
  • InChiKey: AZVWANPKXSKYGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-4-(2-thienylsulfonyl)piperazine
  • 1-(4-chlorophenyl)-4-thiophen-2-ylsulfonyl-piperazine
  • ZINC00470265
  • 1-(4-Chloro-phenyl)-4-(thiophene-2-sulfonyl)-piperazine
  • C085-1562
  • NCGC00104022-01
  • BAS 08206006

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens galactosylceramidase No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum JmjC domain-containing protein, putative 0.003 0.0139 0.0703
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0075 0.0092
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1023 1 1
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0103 0.0158
Plasmodium vivax SET domain protein, putative 0.0098 0.0812 0.4115
Plasmodium vivax hypothetical protein, conserved 0.0092 0.0758 0.3838
Giardia lamblia PHD finger protein 15 0.0092 0.0758 0.3754
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.003 0.0139 0.0703
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0197 0.0262
Brugia malayi jmjC domain containing protein 0.003 0.0139 0.0212
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0203 0.0269
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0075 0.0092
Echinococcus multilocularis peroxidasin 0.0026 0.0103 0.0127
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0032 0.0159 0.0195
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0585 0.0893
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0075 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0075 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.019 0.173 0.2642
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0075 0.0092
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0075 0.0092
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0027 0.0034
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0197 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0075 0.0114
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.011 0.0934 0.115
Brugia malayi Bromodomain containing protein 0.0092 0.0758 0.1157
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Brugia malayi PHD-finger family protein 0.0032 0.0162 0.0248
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0075 0.0092
Echinococcus granulosus lysine specific demethylase 5A 0.0113 0.097 0.1195
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0197 0.0262
Brugia malayi Muscleblind-like protein 0.0147 0.1304 0.1991
Echinococcus multilocularis lysine specific demethylase 6a 0.003 0.0139 0.0171
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0075 0.0092
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0259 0.0249
Brugia malayi jmjC domain containing protein 0.003 0.0139 0.0212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0075 0.0114
Echinococcus multilocularis jumonji domain containing protein 0.0128 0.1115 0.1374
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Loa Loa (eye worm) hypothetical protein 0.0147 0.1304 0.1991
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Brugia malayi chromobox protein homolog 3 0.0042 0.0259 0.0396
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0203 0.025
Echinococcus granulosus PHD finger protein rhinoceros 0.0092 0.0758 0.0934
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0103 0.0158
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0062 0.0461 0.0568
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0042 0.0264 0.0325
Echinococcus granulosus peroxidasin 0.0026 0.0103 0.0127
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0585 0.0781
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0075 0.0114
Loa Loa (eye worm) hypothetical protein 0.0147 0.1304 0.1991
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0215 0.1974 0.2432
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.1579 0.2111
Loa Loa (eye worm) hypothetical protein 0.0034 0.0181 0.0276
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0165 0.0165
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0075 0.0092
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0197 0.0999
Schistosoma mansoni retinoic acid receptor RXR 0.012 0.1032 0.1272
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0098 0.0812 0.1001
Loa Loa (eye worm) hypothetical protein 0.003 0.0139 0.0212
Echinococcus multilocularis PHD finger protein rhinoceros 0.0092 0.0758 0.0934
Schistosoma mansoni peroxidasin 0.0026 0.0103 0.0127
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0062 0.0461 0.0568
Brugia malayi CXXC zinc finger family protein 0.0035 0.0188 0.0288
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0301 0.2836 0.3495
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.1436 0.177
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0215 0.1974 0.3014
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0075 0.0092
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0027 0.0134
Echinococcus multilocularis chromobox protein 1 0.0075 0.0585 0.0721
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0203 0.0177
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0253 0.2353 0.3592
Plasmodium falciparum phd finger protein, putative 0.0092 0.0758 0.3838
Brugia malayi hypothetical protein 0.0026 0.0103 0.0158
Onchocerca volvulus 0.0026 0.0103 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0075 0.0114
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0181 0.0276
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0027 0.0027
Echinococcus granulosus jumonji domain containing 1A 0.003 0.0139 0.0171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0812 0.1001
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0075 0.0092
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0812 0.1001
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0434 0.0535
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0235 0.029
Echinococcus granulosus chromobox protein 1 0.0075 0.0585 0.0721
Echinococcus multilocularis muscleblind protein 0.0147 0.1304 0.1607
Brugia malayi Heterochromatin protein 1 0.0075 0.0585 0.0893
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0075 0.0092
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0143 0.0722
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0202 0.0309
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0075 0.0114
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0434 0.0535
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0093 0.0769 0.0948
Schistosoma mansoni jumonji domain containing protein 0.0239 0.2221 0.2737
Loa Loa (eye worm) hypothetical protein 0.0033 0.017 0.0259
Schistosoma mansoni inositol monophosphatase 0.0036 0.0203 0.025
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0027 0.0134
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0103 0.0039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0043 0.0056
Onchocerca volvulus 0.0033 0.017 0.0128
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0075 0.0092
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.097 0.1195
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0075 0.0114
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0291 0.0387
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0197 0.0243
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0103 0.0158
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0202 0.0309
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Onchocerca volvulus 0.011 0.0934 0.116
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Schistosoma mansoni cpg binding protein 0.0037 0.0208 0.0256
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0203 0.0269
Brugia malayi hypothetical protein 0.0105 0.0891 0.136
Brugia malayi ecdysteroid receptor 0.0023 0.0075 0.0114
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0197 0.0262
Echinococcus granulosus chromobox protein 1 0.0075 0.0585 0.0721
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1436 0.177
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.0139 0.0703
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0075 0.0114
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0103 0.0158
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0075 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0139 0.0212
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0032 0.0164 0.0828
Plasmodium falciparum phenylalanine--tRNA ligase 0.0062 0.0461 0.2334
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0075 0.0092
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8116 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0075 0.0114
Onchocerca volvulus Peroxidase homolog 0.0026 0.0103 0.0039
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0062 0.0461 0.0615
Onchocerca volvulus 0.0026 0.0103 0.0039
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0215 0.1974 1
Brugia malayi Inositol-1 0.0036 0.0203 0.031
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0075 0.0092
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0103 0.0158
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0075 0.0114
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0027 0.0134
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1023 1 1
Schistosoma mansoni hypothetical protein 0.0548 0.5287 0.6514
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0103 0.0158
Echinococcus multilocularis lysine specific demethylase 5A 0.0111 0.095 0.117
Onchocerca volvulus 0.0769 0.7474 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0075 0.0114
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0215 0.1974 1
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4747 0.5849
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0075 0.0114
Schistosoma mansoni hypothetical protein 0.003 0.0143 0.0176
Echinococcus granulosus phd:f box containing protein 0.003 0.0139 0.0171
Echinococcus multilocularis JmjC domain containing protein 4 0.003 0.0139 0.0171
Onchocerca volvulus 0.0093 0.0765 0.0933
Toxoplasma gondii histone lysine demethylase JMJD6a 0.003 0.0139 0.0703
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0075 0.0092
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0434 0.0535
Schistosoma mansoni alpha glucosidase 0.0036 0.0197 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0203 0.0269
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0203 0.1027
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0215 0.1974 0.2639
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0062 0.0461 0.0704
Echinococcus multilocularis cpg binding protein 0.0037 0.0208 0.0256
Trichomonas vaginalis set domain proteins, putative 0.0769 0.7474 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0075 0.0092
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0075 0.0092
Schistosoma mansoni phosphatidylserine receptor 0.003 0.0139 0.0171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0098 0.0812 0.1001
Schistosoma mansoni chromobox protein 0.0075 0.0585 0.0721
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0215 0.1974 0.2432
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0229 0.2121 0.2613
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0075 0.0092
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0203 0.1027
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0202 0.0249
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0197 0.0262
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0103 0.0039
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0139 0.0212
Echinococcus granulosus leukotriene A 4 hydrolase 0.0229 0.2121 0.2613
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0215 0.1974 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Echinococcus multilocularis muscleblind protein 1 0.0147 0.1304 0.1607
Schistosoma mansoni hypothetical protein 0.0034 0.0181 0.0223
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0138 0.0183
Echinococcus multilocularis jumonji domain containing 1A 0.003 0.0139 0.0171
Schistosoma mansoni cpg binding protein 0.0035 0.0188 0.0232
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0075 0.0114
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0215 0.1974 0.2432
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0075 0.0092
Loa Loa (eye worm) hypothetical protein 0.0042 0.0259 0.0396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0075 0.0114
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0259 0.0345
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0062 0.0461 0.2334
Echinococcus granulosus JmjC domain containing protein 4 0.003 0.0139 0.0171
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Brugia malayi SET domain containing protein 0.0017 0.0008 0.0013
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.003 0.0143 0.0722
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.1579 0.2111
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0062 0.0461 0.0704
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0075 0.0114
Schistosoma mansoni phd/f-box containing protein 0.003 0.0139 0.0171
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0092 0.0758 0.0934
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0197 0.0877
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0203 0.025
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0215 0.1974 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.1215 0.1497
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0075 0.0092
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0197 0.0999
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0062 0.0461 0.2334
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0291 0.0387
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0203 0.1027
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8116 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0585 0.0781
Loa Loa (eye worm) PHD-finger family protein 0.0092 0.0758 0.1157
Echinococcus granulosus retinoic acid receptor rxr beta a 0.012 0.1032 0.1272
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0103 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0075 0.0114
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0337 0.0514
Echinococcus granulosus cpg binding protein 0.0037 0.0208 0.0256
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0202 0.0249
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0197 0.0262
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0075 0.0092
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8116 1
Echinococcus granulosus jumonji domain containing protein 0.0128 0.1115 0.1374
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0075 0.0114
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.1436 0.2193
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0203 0.1027
Leishmania major hypothetical protein, conserved 0.003 0.0139 0.0703
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0434 0.2198
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0229 0.2121 0.2613
Schistosoma mansoni ap endonuclease 0.0018 0.0027 0.0033
Onchocerca volvulus Alhambra homolog 0.0092 0.0758 0.0923
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0197 0.0301
Loa Loa (eye worm) inositol-1 0.0036 0.0203 0.031
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0291 0.0292
Toxoplasma gondii exonuclease III APE 0.0018 0.0027 0.0134
Brugia malayi Blistered cuticle protein 3 0.0026 0.0103 0.0158
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0098 0.0812 0.1001
Loa Loa (eye worm) hypothetical protein 0.003 0.0139 0.0212
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0027 0.0033
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0075 0.0092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0162 0.0248
Echinococcus multilocularis geminin 0.0548 0.5287 0.6514
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0215 0.1974 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0434 0.0408
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0027 0.0134
Loa Loa (eye worm) hypothetical protein 0.0215 0.1974 0.3014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0032 0.0159 0.0195
Echinococcus granulosus histone lysine methyltransferase setb 0.0098 0.0812 0.1001
Schistosoma mansoni chromobox protein 0.0075 0.0585 0.0721
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0337 0.0514
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0103 0.0039
Brugia malayi Pre-SET motif family protein 0.0098 0.0812 0.124
Echinococcus multilocularis phd:f box containing protein 0.003 0.0139 0.0171
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0197 0.0262
Trypanosoma brucei glucosidase, putative 0.0036 0.0197 0.0999
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0197 0.0301
Brugia malayi Pre-SET motif family protein 0.0675 0.6549 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0075 0.0092
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0075 0.0092
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0027 0.0134
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.003 0.0143 0.0722
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0138 0.0183
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Brugia malayi nuclear receptor NHR-88 0.0023 0.0075 0.0114
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1023 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0103 0.0158
Onchocerca volvulus Glucosylceramidase homolog 0.0166 0.149 0.1913
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0075 0.0114
Brugia malayi Peroxidasin 0.0026 0.0103 0.0158
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0103 0.0158
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0197 0.0243
Onchocerca volvulus 0.0026 0.0103 0.0039
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.003 0.0139 0.0703
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0075 0.0092
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0007 0.0008
Schistosoma mansoni peroxidasin 0.0026 0.0103 0.0127
Loa Loa (eye worm) jmjC domain-containing protein 0.003 0.0139 0.0212
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0197 0.0999
Schistosoma mansoni jumonji/arid domain-containing protein 0.0113 0.097 0.1195
Schistosoma mansoni alpha-glucosidase 0.0138 0.1215 0.1497
Echinococcus granulosus lysine specific demethylase 6a 0.003 0.0139 0.0171
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0027 0.0041
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0215 0.1974 1
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0215 0.1974 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0532 0.2693
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0075 0.0092
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0235 0.029
Loa Loa (eye worm) hypothetical protein 0.0092 0.0758 0.1157
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0434 0.0434
Brugia malayi jmjC domain containing protein 0.0301 0.2836 0.4331
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0143 0.0722
Schistosoma mansoni protein phosphatase 2C 0.003 0.0139 0.0171
Brugia malayi nuclear hormone receptor 0.0023 0.0075 0.0114
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0434 0.0408
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0229 0.2121 0.3239
Loa Loa (eye worm) hypothetical protein 0.0158 0.141 0.2154
Plasmodium vivax JmjC domain containing protein 0.003 0.0139 0.0703
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0075 0.0114
Loa Loa (eye worm) jmjC domain-containing protein 0.0113 0.097 0.148
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0203 0.1027
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0027 0.0034
Loa Loa (eye worm) hypothetical protein 0.005 0.0337 0.0514
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0075 0.0114
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0188 0.0288
Schistosoma mansoni jumonji domain containing protein 0.003 0.0139 0.0171
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0164 0.0828
Echinococcus granulosus peregrin 0.0092 0.0758 0.0934
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0197 0.0262
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0301 0.2836 0.3495
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0197 0.0999
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0007 0.0008
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0434 0.0535
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0062 0.0461 0.0568
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0179 0.0237
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Echinococcus multilocularis peregrin 0.0092 0.0758 0.0934
Echinococcus multilocularis chromobox protein 1 0.0075 0.0585 0.0721
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0203 0.0177
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0179 0.0237
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0075 0.0092
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.003 0.0139 0.0703
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0062 0.0461 0.0615
Loa Loa (eye worm) hypothetical protein 0.0098 0.0812 0.124
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Brugia malayi jmjC domain containing protein 0.003 0.0139 0.0212
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4747 0.5849
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0203 0.0905
Echinococcus granulosus geminin 0.0548 0.5287 0.6514
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0197 0.0262
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0075 0.0114
Brugia malayi jmjC domain containing protein 0.003 0.0139 0.0212
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0434 0.2198
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0075 0.0114
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0103 0.0158
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0434 0.0408
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0075 0.0092
Schistosoma mansoni coup transcription factor 0.0023 0.0075 0.0092
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0027 0.0134
Brugia malayi AF-10 protein 0.003 0.0143 0.0218
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0152 0.1357 1
Brugia malayi F/Y-rich N-terminus family protein 0.0044 0.0283 0.0432
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0027 0.0041
Onchocerca volvulus 0.0035 0.0188 0.0153
Loa Loa (eye worm) hypothetical protein 0.0031 0.0155 0.0237
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0215 0.1974 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.1436 0.2193
Brugia malayi jmjC domain containing protein 0.0113 0.097 0.148
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0107 0.0911 0.1122
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.003 0.0139 0.0171
Schistosoma mansoni inositol monophosphatase 0.0036 0.0203 0.025
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0253 0.2353 0.3592
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0114
Schistosoma mansoni hypothetical protein 0.0548 0.5287 0.6514
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0075 0.0092
Onchocerca volvulus Peroxidase homolog 0.0026 0.0103 0.0039
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0062 0.0461 0.0568
Schistosoma mansoni hypothetical protein 0.0092 0.0758 0.0934
Echinococcus granulosus muscleblind protein 0.0147 0.1304 0.1607
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0215 0.1974 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0758 0.3838
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0197 0.0262
Schistosoma mansoni cpg binding protein 0.0037 0.0208 0.0256
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.149 0.1992
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0098 0.0812 0.4115
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.2353 0.3146
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.002 0.0043 0.0056
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0337 0.0514
Schistosoma mansoni ap endonuclease 0.0018 0.0027 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0259 0.0345
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.1436 0.177
Plasmodium falciparum phenylalanine--tRNA ligase 0.0062 0.0461 0.2334
Toxoplasma gondii PHD-finger domain-containing protein 0.0092 0.0758 0.3838
Brugia malayi steroid hormone receptor 0.0023 0.0075 0.0114
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.002 0.0043 0.0056
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0027 0.0033
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0103 0.0158
Schistosoma mansoni hypothetical protein 0.0494 0.4747 0.5849
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0077 0.061 0.0751
Brugia malayi PHD-finger family protein 0.0092 0.0758 0.1157
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0062 0.0461 0.2334
Loa Loa (eye worm) hypothetical protein 0.0026 0.0103 0.0158
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0675 0.6549 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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