Detailed information for compound 1437346

Basic information

Technical information
  • TDR Targets ID: 1437346
  • Name: 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-py ridin-2-ylpiperazine; oxalic acid
  • MW: 417.456 | Formula: C21H27N3O6
  • H donors: 2 H acceptors: 5 LogP: 0.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COc1c(ccc(c1C)OC)CN1CCN(CC1)c1ccccn1
  • InChi: 1S/C19H25N3O2.C2H2O4/c1-15-17(23-2)8-7-16(19(15)24-3)14-21-10-12-22(13-11-21)18-6-4-5-9-20-18;3-1(4)2(5)6/h4-9H,10-14H2,1-3H3;(H,3,4)(H,5,6)
  • InChiKey: MLVBYNSTNLVOOE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-(2-pyridyl)piperazine; oxalic acid
  • 1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-pyridyl)piperazine; oxalic acid
  • 1-(2,4-dimethoxy-3-methyl-benzyl)-4-(2-pyridyl)piperazine; oxalic acid
  • 1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-4-pyridin-2-yl-piperazine; ethanedioic acid
  • SMR000451216
  • MLS000910794

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni chromobox protein 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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 granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Chromobox protein homolog 5, 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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia 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
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0128 0.0413 0.0413
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.045 0.2056 0.2048
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0128 0.0413 0.0404
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.076 0.3637 0.3363
Onchocerca volvulus 0.0128 0.0413 1
Leishmania major phosphatidylinositol kinase, putative 0.0128 0.0413 0.0661
Loa Loa (eye worm) hypothetical protein 0.0049 0.0008 0.0016
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0287 0.1223 0.2514
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0432 0.1965 0.3937
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0346 0.1523 0.1523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0128 0.0413 0.0948
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0346 0.1523 0.1523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.2021 0.464
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0189 0.0433
Entamoeba histolytica protein kinase rad3, putative 0.0346 0.1523 0.3444
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0128 0.0413 0.0404
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.076 0.3637 0.3631
Trichomonas vaginalis PIKK family atypical protein kinase 0.076 0.3637 0.8348
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0218 0.087 0.0477
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0348 0.0339
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0495 0.1034
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0128 0.0413 0.0413
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0134 0.0124
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0287 0.1223 0.1104
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0346 0.1523 0.2816
Loa Loa (eye worm) cytochrome P450 family protein 0.0061 0.0069 0.0144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0128 0.0413 0.0404
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.018 0.068 0.1562
Loa Loa (eye worm) hypothetical protein 0.0183 0.0696 0.1452
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1561 0.3562
Trypanosoma cruzi target of rapamycin kinase 3 0.0711 0.3388 0.3104
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0346 0.1523 0.1158
Giardia lamblia GTOR 0.076 0.3637 1
Loa Loa (eye worm) hypothetical protein 0.03 0.129 0.2692
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0348 0.0339
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.018 0.068 0.1562
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0346 0.1523 0.1515
Leishmania major phosphatidylinositol 3-kinase, putative 0.0601 0.2826 0.6376
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0413 0.0948
Trichomonas vaginalis PIKK family atypical protein kinase 0.0711 0.3387 0.7775
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0633 0.2992 0.6867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.3075 0.7058
Brugia malayi jmjC domain containing protein 0.0115 0.0348 0.0348
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0018 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3076 0.706
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.076 0.3637 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0287 0.1223 0.2808
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0287 0.1223 0.2514
Trichomonas vaginalis PIKK family atypical protein kinase 0.0455 0.2084 0.4784
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.018 0.068 0.1714
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0018 0.0443
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.047 0.216 0.4957
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.076 0.3637 0.8295
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2006 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0633 0.2992 0.8
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.045 0.2056 0.2056
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0128 0.0413 0.0404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.3075 0.7058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0218 0.087 0.1996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.3075 0.7058
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0128 0.0413 0.0875
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0343 0.1513 0.3412
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3076 0.706
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Onchocerca volvulus 0.0128 0.0413 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0601 0.2826 0.6487
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.018 0.068 0.068
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0189 0.0394
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1561 0.3562
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.018 0.068 0.0672
Schistosoma mansoni hypothetical protein 0.0128 0.0413 0.0283
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.018 0.068 0.1562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0711 0.3387 0.7775
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0601 0.2826 0.6487
Echinococcus granulosus serine protein kinase ATM 0.0346 0.1523 0.1515
Echinococcus multilocularis 0.0128 0.0413 0.0404
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0633 0.2992 0.6867
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0645 0.3054 0.8191
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0287 0.1223 0.0845
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1092 0.5333 0.5329
Trichomonas vaginalis PIKK family atypical protein kinase 0.0504 0.2334 0.5357
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0255 0.1062 0.1054
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2006 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0645 0.3054 0.7009
Loa Loa (eye worm) hypothetical protein 0.0255 0.1062 0.2217
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0255 0.1062 0.1054
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1092 0.5333 0.5329
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0128 0.0413 0.0404
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0134 0.0124
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.018 0.068 0.142
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.018 0.068 0.0279
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.076 0.3637 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.018 0.068 0.1295
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.076 0.3637 0.8175
Loa Loa (eye worm) hypothetical protein 0.0218 0.087 0.1816
Trichomonas vaginalis PIKK family atypical protein kinase 0.0662 0.3139 0.7204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0177 0.0661 0.1518
Echinococcus multilocularis serine protein kinase ATM 0.0346 0.1523 0.1515
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0346 0.1523 0.1409
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.018 0.068 0.1714
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0505 0.2338 0.5972
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.047 0.216 0.4957
Loa Loa (eye worm) phosphatidylinositol 3 0.0159 0.057 0.1189
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0226 0.0911 0.1263
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.018 0.068 0.083
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0287 0.1223 0.2808
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2006 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.076 0.3637 0.7592
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.045 0.2056 0.2048
Leishmania major phosphatidylinositol 4-kinase, putative 0.0128 0.0413 0.0661
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0633 0.2992 0.269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Trichomonas vaginalis conserved hypothetical protein 0.0383 0.1716 0.3938
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.076 0.3637 0.3551
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.018 0.068 0.0672
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0287 0.1223 0.1223
Leishmania major hypothetical protein, conserved 0.0128 0.0413 0.0661
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0459 0.21 0.21
Loa Loa (eye worm) hypothetical protein 0.03 0.129 0.2692
Leishmania major phosphatidylinositol kinase related protein, putative 0.0128 0.0413 0.0661
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0128 0.0413 0.0875
Schistosoma mansoni fkbp-rapamycin associated protein 0.0346 0.1523 0.1409
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0346 0.1523 0.1515
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0189 0.0433
Echinococcus multilocularis chromobox protein 1 0.0084 0.0189 0.018
Loa Loa (eye worm) hypothetical protein 0.0383 0.1716 0.3582
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.076 0.3637 0.3363
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.018 0.068 0.0672
Schistosoma mansoni chromobox protein 0.0084 0.0189 0.0056
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0234 0.0956 0.1684
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0346 0.1523 0.1158
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0128 0.0413 0.0875
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0601 0.2826 0.6119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.2021 0.464
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0633 0.2992 0.269
Loa Loa (eye worm) hypothetical protein 0.045 0.2056 0.4291
Loa Loa (eye worm) hypothetical protein 0.0128 0.0413 0.0862
Loa Loa (eye worm) phosphatidylinositol kinase 0.0128 0.0413 0.0862
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.018 0.068 0.083
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1092 0.5333 0.527
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0128 0.0413 0.0404
Toxoplasma gondii target of rapamycin (TOR), putative 0.0698 0.3324 1
Brugia malayi Heterochromatin protein 1 0.0084 0.0189 0.0189
Leishmania major hypothetical protein, unknown function 0.0128 0.0413 0.0661
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.076 0.3637 0.8175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0698 0.3324 0.763
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0128 0.0413 0.0404
Loa Loa (eye worm) hypothetical protein 0.0346 0.1523 0.318
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0159 0.057 0.0164
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3076 0.706
Brugia malayi Cytochrome P450 family protein 0.0061 0.0069 0.0069
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0633 0.2992 0.6867
Entamoeba histolytica hypothetical protein 0.0527 0.2449 0.6316
Echinococcus multilocularis Zinc finger, PHD finger 0.018 0.068 0.0672
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1561 0.3562
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0287 0.1223 0.2808
Plasmodium falciparum phosphatidylinositol 3-kinase 0.018 0.068 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.018 0.068 0.0279
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2006 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1561 0.5
Schistosoma mansoni phosphatidylinositol 4-kinase 0.018 0.068 0.0554
Brugia malayi FAT domain containing protein 0.0255 0.1062 0.1062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0633 0.2992 0.2992
Trichomonas vaginalis PIKK family atypical protein kinase 0.0901 0.4357 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.013 0.0272
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0639 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0018 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0662 0.3139 0.7204
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0128 0.0413 0.0283
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.018 0.068 0.0554
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0711 0.3388 0.7707
Trichomonas vaginalis PIKK family atypical protein kinase 0.0711 0.3387 0.7775
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0711 0.3388 0.7545
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0413 0.0862
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.087 0.1996
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.018 0.068 0.0678
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0128 0.0413 0.0413
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.018 0.068 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0383 0.1716 0.4959
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.076 0.3637 0.8295
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.3076 0.706
Trichomonas vaginalis conserved hypothetical protein 0.0255 0.1062 0.2438
Trichomonas vaginalis PIKK family atypical protein kinase 0.076 0.3637 0.8348
Schistosoma mansoni hypothetical protein 0.0255 0.1062 0.0941
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0639 1
Brugia malayi MH2 domain containing protein 0.0144 0.0495 0.0495
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0128 0.0413 0.0948
Trichomonas vaginalis PIKK family atypical protein kinase 0.0346 0.1523 0.3496
Trichomonas vaginalis PIKK family atypical protein kinase 0.0493 0.2277 0.5226
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0128 0.0413 0.0283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0346 0.1523 0.3496
Schistosoma mansoni chromobox protein 0.0084 0.0189 0.0056
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0601 0.2826 0.6487
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0901 0.4357 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.076 0.3637 0.3637
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0413 0.0862
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0364 0.1617 0.3734
Echinococcus multilocularis chromobox protein 1 0.0084 0.0189 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0601 0.2826 0.6487
Loa Loa (eye worm) phosphatidylinositol 3 0.0985 0.479 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0527 0.2449 0.6316
Toxoplasma gondii FATC domain-containing protein 0.0346 0.1523 0.4355
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0639 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0413 0.0862
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.018 0.068 0.1295
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0287 0.1223 0.2055
Echinococcus granulosus chromobox protein 1 0.0084 0.0189 0.018
Entamoeba histolytica hypothetical protein 0.0346 0.1523 0.3444
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0495 0.1034
Loa Loa (eye worm) phosphatidylinositol 3 0.0901 0.4357 0.9095
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0901 0.4357 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.076 0.3637 0.3631
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0128 0.0413 0.0283
Mycobacterium tuberculosis Conserved hypothetical protein 0.0128 0.0413 0.552
Loa Loa (eye worm) phosphatidylinositol 3 0.0128 0.0413 0.0862
Echinococcus granulosus chromobox protein 1 0.0084 0.0189 0.018
Trichomonas vaginalis PIKK family atypical protein kinase 0.076 0.3637 0.8348
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1561 0.3583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0443 0.2021 0.464
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0227 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0711 0.3387 0.7775
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0413 0.0948
Trichomonas vaginalis PIKK family atypical protein kinase 0.0711 0.3387 0.7775

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1122 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 8.9125 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 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 14.1254 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 17.7828 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) = 19.9054 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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