Detailed information for compound 1251828

Basic information

Technical information
  • TDR Targets ID: 1251828
  • Name: 5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3,5-thi adiazinane-2-thione
  • MW: 282.425 | Formula: C13H18N2OS2
  • H donors: 0 H acceptors: 0 LogP: 3.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CSC(=S)N(C1)Cc1ccc(cc1)OC
  • InChi: 1S/C13H18N2OS2/c1-3-14-9-15(13(17)18-10-14)8-11-4-6-12(16-2)7-5-11/h4-7H,3,8-10H2,1-2H3
  • InChiKey: POLBPICNUOKUOO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-ethyl-3-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
  • Oprea1_773189
  • EU-0028820
  • MLS000254483
  • SMR000031239
  • MLS000834061

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0275 0.1148 0.4815
Onchocerca volvulus 0.0286 0.1199 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Schistosoma mansoni alpha glucosidase 0.0044 0.0055 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0084 0.0247 0.1035
Schistosoma mansoni hypothetical protein 0.0191 0.075 0.1952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.0247 0.1035
Brugia malayi Pre-SET motif family protein 0.0251 0.1035 0.2697
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0247 0.1014 0.2643
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) hypothetical protein 0.0247 0.1014 0.4365
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0438 0.1915 0.4996
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2484 0.2482
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0246 0.1033
Onchocerca volvulus 0.0037 0.0024 0.0174
Loa Loa (eye worm) hypothetical protein 0.0084 0.0247 0.1061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.0247 0.1035
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Schistosoma mansoni hypothetical protein 0.0084 0.0247 0.0637
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0247 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0247 0.1014 0.1012
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0778 0.2024
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Brugia malayi hypothetical protein 0.0043 0.0054 0.0134
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0281 0.1174 0.2965
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0365 0.1572 0.4017
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0844 0.3831 0.3829
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1515 0.7598
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0438 0.1915 0.5098
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0084 0.0247 0.0844
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0438 0.1915 0.8199
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0438 0.1915 0.8199
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1515 0.5
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0084 0.0247 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Leishmania major phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0525
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0089 0.0353
Schistosoma mansoni chromobox protein 0.0084 0.0246 0.0636
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Toxoplasma gondii FATC domain-containing protein 0.0365 0.1572 0.8189
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0003 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0133 0.0341
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Onchocerca volvulus 0.0182 0.071 0.5914
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0005
Echinococcus multilocularis serine protein kinase ATM 0.0365 0.1572 0.157
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0005
Loa Loa (eye worm) hypothetical protein 0.0275 0.1148 0.4938
Entamoeba histolytica hypothetical protein 0.0365 0.1572 0.8155
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0247 0.1014 0.2541
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0084 0.0247 0.0244
Schistosoma mansoni fkbp-rapamycin associated protein 0.0247 0.1014 0.2643
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0189
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0438 0.1915 0.4927
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0055 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0072 0.028
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.1423 0.6112
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0323 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) hypothetical protein 0.0036 0.0019 0.0083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0365 0.1572 0.4099
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1035 0.4454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0084 0.0247 0.1061
Brugia malayi Heterochromatin protein 1 0.0084 0.0246 0.0636
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0247 0.1014 0.1012
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0663 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0438 0.1915 0.5098
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0844 0.3831 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0663 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0258 0.1109
Onchocerca volvulus 0.0114 0.0386 0.3204
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0084 0.0247 0.1035
Echinococcus multilocularis Zinc finger, PHD finger 0.0084 0.0247 0.0244
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0524 0.2324 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0084 0.0247 0.0637
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0055 0.0237
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3781 0.9871
Brugia malayi chromobox protein homolog 3 0.0047 0.0072 0.018
Trichomonas vaginalis conserved hypothetical protein 0.0275 0.1148 0.4923
Brugia malayi Pre-SET motif family protein 0.0036 0.0019 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Leishmania major phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0525
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0084 0.0247 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1515 0.7847
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0323 0.032
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0055 0.0137
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Onchocerca volvulus 0.0084 0.0247 0.2039
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0054 0.0051
Schistosoma mansoni hypothetical protein 0.0041 0.0043 0.0106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.0247 0.1035
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.1148 0.4923
Brugia malayi hypothetical protein 0.0182 0.071 0.1848
Trypanosoma cruzi hypothetical protein, conserved 0.0733 0.3307 0.8612
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0438 0.1915 0.8199
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0084 0.0247 0.0637
Brugia malayi FAT domain containing protein 0.0191 0.075 0.1952
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0089 0.0353
Onchocerca volvulus 0.01 0.0323 0.2676
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0844 0.3831 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Loa Loa (eye worm) phosphatidylinositol 3 0.0438 0.1915 0.8242
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0084 0.0247 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0084 0.0247 0.0244
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0323 0.0836
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Loa Loa (eye worm) hypothetical protein 0.0033 0.0003 0.0012
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0524 0.2324 0.6217
Echinococcus granulosus serine protein kinase ATM 0.0365 0.1572 0.157
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0275 0.1148 0.5951
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0019 0.0016
Loa Loa (eye worm) hypothetical protein 0.0182 0.071 0.3056
Trypanosoma cruzi target of rapamycin kinase 3 0.0438 0.1915 0.4927
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2484 0.2482
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0663 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0844
Loa Loa (eye worm) phosphatidylinositol 3 0.0524 0.2324 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0084 0.0247 0.0637
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0084 0.0247 0.1035
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) phosphatidylinositol kinase 0.0084 0.0247 0.1061
Echinococcus multilocularis geminin 0.0205 0.0815 0.0812
Loa Loa (eye worm) hypothetical protein 0.0084 0.0247 0.1061
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2484 0.2482
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0055 0.0052
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0003 0.0012
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3781 0.378
Echinococcus granulosus chromobox protein 1 0.0084 0.0246 0.0243
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0019 0.0016
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0529 0.2278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0524 0.2324 1
Echinococcus multilocularis 0.0084 0.0247 0.0244
Onchocerca volvulus 0.0084 0.0247 0.2039
Loa Loa (eye worm) hypothetical protein 0.0047 0.0072 0.0308
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0043 0.0106
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0525
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0133 0.0341
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.0617 0.2633
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0202 0.0804 0.1984
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0084 0.0247 0.0244
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0438 0.1915 0.5098
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0084 0.0247 0.1035
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0529 0.2278
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0438 0.1915 0.4927
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0072 0.0576
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0438 0.1915 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0438 0.1915 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0084 0.0247 0.0244
Trichomonas vaginalis conserved hypothetical protein 0.0191 0.075 0.3208
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2484 0.2482
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0191 0.075 0.0747
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0054 0.0134
Schistosoma mansoni hypothetical protein 0.0205 0.0815 0.2121
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2151 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.0054 0.0134
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0507
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0084 0.0247 0.0244
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0133 0.0573
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0844 0.3831 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0084 0.0247 0.1034
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0778 0.3346
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0438 0.1915 0.1913
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0089 0.0717
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0844 0.3831 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0054 0.0051
Toxoplasma gondii target of rapamycin (TOR), putative 0.0438 0.1915 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0084 0.0247 0.0507
Loa Loa (eye worm) hypothetical protein 0.0087 0.0258 0.1109
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0084 0.0247 0.0637
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Onchocerca volvulus 0.005 0.0084 0.0681
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0438 0.1915 0.5098
Leishmania major hypothetical protein, unknown function 0.0084 0.0247 0.0525
Loa Loa (eye worm) hypothetical protein 0.01 0.0323 0.1389
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0055 0.0052
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0844
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0438 0.1915 0.8199
Loa Loa (eye worm) hypothetical protein 0.006 0.0133 0.0573
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0438 0.1915 0.4996
Loa Loa (eye worm) hypothetical protein 0.0191 0.075 0.3227
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0365 0.1572 0.6686
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0844 0.3831 0.3829
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0191 0.075 0.0747
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0084 0.0247 0.0844
Schistosoma mansoni alpha-glucosidase 0.0169 0.0648 0.1686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0163 0.0617 0.2633
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Schistosoma mansoni hypothetical protein 0.0205 0.0815 0.2121
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0084 0.0247 1
Plasmodium vivax hypothetical protein 0.0084 0.0247 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0084 0.0213
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0019 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Echinococcus multilocularis chromobox protein 1 0.0084 0.0246 0.0243
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0844
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0438 0.1915 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1515 0.7847
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Schistosoma mansoni alpha-glucosidase 0.0169 0.0648 0.1686
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Schistosoma mansoni chromobox protein 0.0084 0.0246 0.0636
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Leishmania major phosphatidylinositol kinase related protein, putative 0.0202 0.0804 0.2053
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0055 0.0209
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0072 0.028
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0084 0.0247 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0024 0.0102
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0246 0.1059
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Echinococcus granulosus geminin 0.0205 0.0815 0.0812
Echinococcus granulosus chromobox protein 1 0.0084 0.0246 0.0243
Loa Loa (eye worm) hypothetical protein 0.0281 0.1174 0.5054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0365 0.1572 0.6755
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Leishmania major hypothetical protein, conserved 0.0817 0.3704 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0084 0.0247 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0247 0.1014 0.516
Leishmania major phosphatidylinositol kinase, putative 0.0084 0.0247 0.0525
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0013 0.001
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0084 0.0247 0.0244
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0084 0.0247 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0084 0.0247 0.0244
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0055 0.0209
Brugia malayi MH2 domain containing protein 0.0144 0.0529 0.1376
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0323 0.0836
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0507
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0084 0.0247 0.0637
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1199 0.5145
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0084 0.0247 0.0507
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0084 0.0247 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3781 0.378
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0334 0.1423 0.7355
Echinococcus multilocularis chromobox protein 1 0.0084 0.0246 0.0243
Giardia lamblia GTOR 0.0438 0.1915 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0055 0.0209
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0365 0.1572 0.4099
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0246 0.1033

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 0.1585 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 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) 5.8584 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) 7.9433 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) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.7279 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. 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 (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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