Detailed information for compound 1407982

Basic information

Technical information
  • TDR Targets ID: 1407982
  • Name: 5-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)- 1,3,5-thiadiazinane-2-thione
  • MW: 344.494 | Formula: C18H20N2OS2
  • H donors: 0 H acceptors: 0 LogP: 4.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN1CSC(=S)N(C1)Cc1ccccc1
  • InChi: 1S/C18H20N2OS2/c1-21-17-9-7-16(8-10-17)11-19-13-20(18(22)23-14-19)12-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
  • InChiKey: GERMESKNXWUMHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(benzyl)-5-(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
  • Oprea1_800701

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0084 0.0247 0.1034
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Echinococcus multilocularis geminin 0.0205 0.0815 0.0812
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0529 0.2278
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0438 0.1915 0.8199
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0438 0.1915 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0072 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) hypothetical protein 0.0191 0.075 0.3227
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0089 0.0353
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
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0055 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0163 0.0617 0.2633
Echinococcus multilocularis chromobox protein 1 0.0084 0.0246 0.0243
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0191 0.075 0.0747
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0844 0.3831 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Echinococcus multilocularis chromobox protein 1 0.0084 0.0246 0.0243
Toxoplasma gondii FATC domain-containing protein 0.0365 0.1572 0.8189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0084 0.0213
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0246 0.1033
Loa Loa (eye worm) hypothetical protein 0.0087 0.0258 0.1109
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0438 0.1915 0.4996
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0054 0.0051
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0323 0.032
Plasmodium vivax hypothetical protein, conserved 0.0084 0.0247 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0844 0.3831 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3781 0.9871
Onchocerca volvulus 0.005 0.0084 0.0681
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0438 0.1915 0.5098
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Schistosoma mansoni hypothetical protein 0.0191 0.075 0.1952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0524 0.2324 1
Brugia malayi FAT domain containing protein 0.0191 0.075 0.1952
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
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) pigment dispersing factor receptor c 0.006 0.0133 0.0573
Echinococcus granulosus chromobox protein 1 0.0084 0.0246 0.0243
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0084 0.0247 0.0637
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0844 0.3831 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0043 0.0106
Schistosoma mansoni hypothetical protein 0.0205 0.0815 0.2121
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0054 0.0134
Leishmania major phosphatidylinositol 3-kinase, putative 0.0438 0.1915 0.5098
Brugia malayi chromobox protein homolog 3 0.0047 0.0072 0.018
Brugia malayi MH2 domain containing protein 0.0144 0.0529 0.1376
Leishmania major phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0525
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0438 0.1915 0.8199
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0778 0.2024
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0084 0.0247 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Onchocerca volvulus 0.0084 0.0247 0.2039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis conserved hypothetical protein 0.0163 0.0617 0.2633
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0247 0.1014 0.2541
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0084 0.0247 0.0507
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0133 0.0341
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1515 0.7847
Loa Loa (eye worm) phosphatidylinositol 3 0.0438 0.1915 0.8242
Loa Loa (eye worm) hypothetical protein 0.0084 0.0247 0.1061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Onchocerca volvulus 0.0114 0.0386 0.3204
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Schistosoma mansoni hypothetical protein 0.0041 0.0043 0.0106
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0072 0.028
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0525
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Leishmania major hypothetical protein, conserved 0.0817 0.3704 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0084 0.0247 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0084 0.0247 0.0844
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0365 0.1572 0.6686
Brugia malayi Pre-SET motif family protein 0.0036 0.0019 0.0043
Echinococcus multilocularis serine protein kinase ATM 0.0365 0.1572 0.157
Schistosoma mansoni alpha glucosidase 0.0044 0.0055 0.0137
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0084 0.0247 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1199 0.5145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0438 0.1915 0.4996
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0084 0.0247 0.0637
Leishmania major phosphatidylinositol kinase, putative 0.0084 0.0247 0.0525
Onchocerca volvulus 0.0286 0.1199 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Echinococcus multilocularis Zinc finger, PHD finger 0.0084 0.0247 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0529 0.2278
Loa Loa (eye worm) hypothetical protein 0.0087 0.0258 0.1109
Schistosoma mansoni chromobox protein 0.0084 0.0246 0.0636
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0055 0.0052
Loa Loa (eye worm) phosphatidylinositol kinase 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 0.0438 0.1915 0.8237
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0084 0.0247 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0084 0.0247 0.0244
Trypanosoma cruzi hypothetical protein, conserved 0.0733 0.3307 0.8612
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0438 0.1915 0.8199
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0507
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0247 0.1014 0.2643
Schistosoma mansoni hypothetical protein 0.0084 0.0247 0.0637
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0084 0.0247 0.0244
Loa Loa (eye worm) hypothetical protein 0.0033 0.0003 0.0012
Entamoeba histolytica protein kinase rad3, putative 0.0247 0.1014 0.516
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.1034
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0084 0.0247 0.0244
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Loa Loa (eye worm) hypothetical protein 0.0037 0.0024 0.0102
Entamoeba histolytica hypothetical protein 0.0365 0.1572 0.8155
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0281 0.1174 0.2965
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0507
Echinococcus granulosus geminin 0.0205 0.0815 0.0812
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0072 0.028
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0055 0.0209
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0507
Echinococcus granulosus chromobox protein 1 0.0084 0.0246 0.0243
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
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 fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0202 0.0804 0.1984
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0084 0.0247 0.0844
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0778 0.3346
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1515 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0084 0.0247 0.0844
Giardia lamblia GTOR 0.0438 0.1915 1
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
Onchocerca volvulus 0.0037 0.0024 0.0174
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0246 0.1059
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0438 0.1915 0.5098
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0019 0.0016
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1515 0.7598
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0247 0.1014 0.1012
Loa Loa (eye worm) hypothetical protein 0.0084 0.0247 0.1061
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0524 0.2324 0.6217
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 4 kinase type 2 beta 0.0084 0.0247 0.0244
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0323 0.0836
Schistosoma mansoni alpha-glucosidase 0.0169 0.0648 0.1686
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0844 0.3831 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0663 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0323 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0334 0.1423 0.7355
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0084 0.0247 0.0637
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
Brugia malayi Pre-SET motif family protein 0.0251 0.1035 0.2697
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0365 0.1572 0.4099
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0084 0.0247 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0189
Schistosoma mansoni hypothetical protein 0.0205 0.0815 0.2121
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0365 0.1572 0.6755
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis conserved hypothetical protein 0.0275 0.1148 0.4923
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0084 0.0247 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0072 0.0308
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0055 0.0209
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
Brugia malayi hypothetical protein 0.0182 0.071 0.1848
Brugia malayi hypothetical protein 0.0043 0.0054 0.0134
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0005
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0365 0.1572 0.4017
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0084 0.0247 0.0507
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0438 0.1915 0.8199
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0438 0.1915 0.1913
Loa Loa (eye worm) hypothetical protein 0.006 0.0133 0.0573
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0003 0.0012
Echinococcus granulosus serine protein kinase ATM 0.0365 0.1572 0.157
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0084 0.0247 0.0244
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0089 0.0717
Leishmania major hypothetical protein, unknown function 0.0084 0.0247 0.0525
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0084 0.0247 0.1035
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0275 0.1148 0.4815
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0054 0.0051
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Loa Loa (eye worm) phosphatidylinositol 3 0.0084 0.0247 0.1061
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0438 0.1915 0.5098
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0844 0.3831 0.3829
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0084 0.0247 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1515 0.7847
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0019 0.0043
Schistosoma mansoni chromobox protein 0.0084 0.0246 0.0636
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.0247 0.1035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2484 0.2482
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trichomonas vaginalis conserved hypothetical protein 0.0191 0.075 0.3208
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0247 0.1014 0.1012
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0084 0.0247 0.1035
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0133 0.0341
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0084 0.0247 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0084 0.0247 0.0244
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Loa Loa (eye worm) hypothetical protein 0.0247 0.1014 0.4365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Loa Loa (eye worm) hypothetical protein 0.0281 0.1174 0.5054
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0275 0.1148 0.5951
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0084 0.0247 0.0244
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0438 0.1915 0.4927
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0084 0.0247 0.0637
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Schistosoma mansoni fkbp-rapamycin associated protein 0.0247 0.1014 0.2643
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0507
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0191 0.075 0.0747
Trichomonas vaginalis PIKK family atypical protein kinase 0.0084 0.0247 0.1035
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0438 0.1915 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0084 0.0247 0.0637
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0055 0.0052
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2484 0.2482
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.1035
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0778 0.0775
Onchocerca volvulus 0.0084 0.0247 0.2039
Leishmania major phosphatidylinositol kinase related protein, putative 0.0202 0.0804 0.2053
Loa Loa (eye worm) hypothetical protein 0.0036 0.0019 0.0083
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.0844
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3781 0.378
Entamoeba histolytica hypothetical protein 0.0084 0.0247 0.1034
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0084 0.0247 0.0507
Loa Loa (eye worm) phosphatidylinositol 3 0.0524 0.2324 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0084 0.0247 0.1035
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0084 0.0247 0.0637
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0438 0.1915 0.1913
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0663 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0084 0.0247 0.1061
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2484 0.2482
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0019 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0334 0.1423 0.6112
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Onchocerca volvulus 0.0182 0.071 0.5914
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0013 0.001
Toxoplasma gondii target of rapamycin (TOR), putative 0.0438 0.1915 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0084 0.0247 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0524 0.2324 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0003 0.0012
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0084 0.0247 0.0507
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0084 0.0247 0.1035
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0084 0.0247 0.1035
Loa Loa (eye worm) hypothetical protein 0.0275 0.1148 0.4938
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0365 0.1572 0.4099
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0844 0.3831 0.3829
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0055 0.0005
Onchocerca volvulus 0.01 0.0323 0.2676
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0089 0.0353
Loa Loa (eye worm) hypothetical protein 0.0182 0.071 0.3056
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0438 0.1915 0.4927
Loa Loa (eye worm) hypothetical protein 0.01 0.0323 0.1389
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0084 0.0247 0.0244
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
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0507
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0246 0.1033
Loa Loa (eye worm) hypothetical protein 0.0041 0.0043 0.0186
Schistosoma mansoni hypothetical protein 0.0043 0.0054 0.0134
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0055 0.0237
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0084 0.0247 0.1034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2484 0.2482
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0663 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0275 0.1148 0.4923
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0323 0.0836
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Leishmania major phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0525
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0084 0.0247 0.0844
Brugia malayi Heterochromatin protein 1 0.0084 0.0246 0.0636
Plasmodium vivax hypothetical protein 0.0084 0.0247 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0247 0.1014 0.4349
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0055 0.0209
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1035 0.4454
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0055 0.0209
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3781 0.378
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0055 0.0209
Echinococcus multilocularis 0.0084 0.0247 0.0244
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0084 0.0247 0.1199
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1515 0.6507
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0084 0.0247 0.5
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0084 0.0247 0.1035
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0019 0.0016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0438 0.1915 0.8237

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.1623 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) 3.9811 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 12.5893 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) 18.3564 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) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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