Detailed information for compound 1402609

Basic information

Technical information
  • TDR Targets ID: 1402609
  • Name: 1-methyl-4-(methyl-(phenylmethyl)amino)-3-nit roquinolin-2-one
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 0 H acceptors: 3 LogP: 2.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1c2ccccc2n(c(=O)c1[N+](=O)[O-])C)Cc1ccccc1
  • InChi: 1S/C18H17N3O3/c1-19(12-13-8-4-3-5-9-13)16-14-10-6-7-11-15(14)20(2)18(22)17(16)21(23)24/h3-11H,12H2,1-2H3
  • InChiKey: ZHADVAKVBGAQPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-4-(methyl-(phenylmethyl)amino)-3-nitro-quinolin-2-one
  • 1-methyl-4-(methyl-(phenylmethyl)amino)-3-nitro-2-quinolinone
  • 4-(benzyl-methyl-amino)-1-methyl-3-nitro-carbostyril
  • STOCK5S-13013
  • 4-(Benzyl-methyl-amino)-1-methyl-3-nitro-1H-quinolin-2-one
  • MLS000762955
  • SMR000439618
  • ZINC05532199

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0081 0.0488 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0078 0.0461 0.1492
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.005 0.0182 0.0171
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0081 0.0488 0.0461
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.026 0.2239 0.2216
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0081 0.0488 0.0488
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0117 0.0841 0.0671
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0625 0.5804 0.5753
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0149 0.1154 0.099
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0071 0.0388 0.0377
Loa Loa (eye worm) hypothetical protein 0.0202 0.1668 0.1668
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Toxoplasma gondii aldo-keto reductase 0.0078 0.0461 0.0471
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.017 0.1358 0.1253
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0.0182 0.0063
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0.0182 0.0086
Leishmania major hypothetical protein, conserved 0.0071 0.0388 0.0271
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0411 0.0383
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Echinococcus multilocularis geminin 0.0205 0.1694 0.167
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.052
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0078 0.0461 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.1198 0.1091
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0138 0.1045 0.0936
Schistosoma mansoni fkbp-rapamycin associated protein 0.0202 0.1668 0.1659
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Loa Loa (eye worm) phosphatidylinositol kinase 0.0071 0.0388 0.0388
Echinococcus multilocularis serine protein kinase ATM 0.0202 0.1668 0.1644
Mycobacterium tuberculosis Conserved hypothetical protein 0.0071 0.0388 0.1171
Leishmania major phosphatidylinositol kinase, putative 0.0071 0.0388 0.0271
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0373
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0071 0.0388 0.7269
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.012 0.012
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.012 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0388
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Loa Loa (eye worm) beta-lactamase 0.0043 0.012 0.012
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0099 0.0665 0.0492
Brugia malayi RNA binding protein 0.0076 0.0442 0.0432
Trypanosoma brucei aldo/keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni pol-related 0.0078 0.0461 0.0451
Echinococcus granulosus serine protein kinase ATM 0.0202 0.1668 0.1644
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Loa Loa (eye worm) hypothetical protein 0.0225 0.189 0.189
Leishmania major phosphatidylinositol 3-kinase, putative 0.0356 0.3171 0.3088
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0202 0.1668 0.1567
Entamoeba histolytica hypothetical protein 0.0071 0.0388 0.0209
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0285 0.2482 0.239
Entamoeba histolytica protein kinase rad3, putative 0.0202 0.1668 0.1514
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trypanosoma cruzi target of rapamycin kinase 3 0.0841 0.7906 0.7906
Echinococcus multilocularis 0.0071 0.0388 0.036
Schistosoma mansoni hypothetical protein 0.0154 0.1198 0.1188
Schistosoma mansoni cpg binding protein 0.0034 0.0029 0.0018
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Onchocerca volvulus 0.0071 0.0388 0.8368
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0461 0.0284
Onchocerca volvulus 0.0078 0.0461 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0442 0.0432
Loa Loa (eye worm) hypothetical protein 0.0131 0.0976 0.0976
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0081 0.0488 0.0373
Leishmania major prostaglandin f synthase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0388 0.7269
Giardia lamblia Aldose reductase 0.0078 0.0461 0.0284
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0071 0.0388 0.036
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0356 0.3171 0.3151
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0134 0.1006 0.098
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0202 0.1668 0.1668
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0693 0.0682
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0138 0.1045 0.0936
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3088
Loa Loa (eye worm) phosphatidylinositol 3 0.0356 0.3171 0.3171
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Leishmania major phosphatidylinositol 3-kinase, putative 0.0081 0.0488 0.0373
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.012 0.012
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0131 0.0976 0.0976
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Onchocerca volvulus 0.005 0.0182 0.3803
Loa Loa (eye worm) hypothetical protein 0.0154 0.1198 0.1198
Trichomonas vaginalis aldo/keto reductase, putative 0.0078 0.0461 0.0346
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.017 0.1358 0.1358
Brugia malayi beta-lactamase family protein 0.0043 0.012 0.0109
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0356 0.3171 0.3151
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0011 0.0011
Giardia lamblia Phosphatidylinositol 4-kinase 0.0071 0.0388 0.0209
Entamoeba histolytica hypothetical protein 0.0071 0.0388 0.0209
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Mycobacterium ulcerans hypothetical protein 0.0078 0.0461 1
Brugia malayi beta-lactamase family protein 0.0043 0.012 0.0109
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.005 0.0182 0.0154
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7835 0.7828
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0102 0.0693 0.0693
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0182 0.0063
Toxoplasma gondii aldose reductase, putative 0.0078 0.0461 0.0471
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0092 0.0592 0.0417
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Mycobacterium leprae Possible oxidoreductase 0.0078 0.0461 1
Brugia malayi intracellular kinase 0.005 0.0182 0.0171
Trypanosoma brucei prostaglandin f synthase 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0625 0.5804 0.5753
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0202 0.1668 0.1659
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Loa Loa (eye worm) RNA binding protein 0.0076 0.0442 0.0442
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Onchocerca volvulus 0.0078 0.0461 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0071 0.0388 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.012 0.012
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0501 0.4584 0.4518
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0081 0.0488 0.0312
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3088
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.017 0.1358 0.1358
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0071 0.0388 0.0271
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0488
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0071 0.0388 0.0388
Echinococcus granulosus glycogen synthase kinase 3 beta 0.005 0.0182 0.0154
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0202 0.1668 0.1644
Trypanosoma cruzi aldo/keto reductase, putative 0.0078 0.0461 0.0461
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0154 0.1198 0.1172
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0182 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0388 0.0271
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0442 0.0442
Echinococcus multilocularis Zinc finger, PHD finger 0.0081 0.0488 0.0461
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0225 0.189 0.2443
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0411 0.0401
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0901 0.8498 0.8479
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0271
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0081 0.0488 0.0373
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0488
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7835 0.7828
Loa Loa (eye worm) hypothetical protein 0.0214 0.1789 0.1789
Giardia lamblia Aldose reductase 0.0078 0.0461 0.0284
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0071 0.0388 0.0377
Brugia malayi FAT domain containing protein 0.0154 0.1198 0.1188
Leishmania major hypothetical protein, unknown function 0.0071 0.0388 0.0271
Giardia lamblia Hypothetical protein 0.0071 0.0388 0.0209
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni potassium channel beta 0.0078 0.0461 0.0451
Plasmodium vivax hypothetical protein 0.0071 0.0388 0.7269
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.012 0.0091
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0388 0.0271
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0071 0.0388 0.037
Onchocerca volvulus 0.0078 0.0461 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0134 0.1006 0.0996
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0182 0.0182
Onchocerca volvulus 0.0078 0.0461 1
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0071 0.0388 0.6712
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0071 0.0388 0.0271
Echinococcus granulosus voltage gated potassium channel subunit 0.0078 0.0461 0.0433
Entamoeba histolytica hypothetical protein 0.0071 0.0388 0.0209
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0071 0.0388 0.0377
Echinococcus granulosus geminin 0.0205 0.1694 0.167
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Onchocerca volvulus 0.0043 0.012 0.2416
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0071 0.0388 0.0271
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0411 0.0295
Entamoeba histolytica hypothetical protein 0.0149 0.1154 0.099
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0071 0.0388 0.037
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0411 0.1274
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0102 0.0693 0.058
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0686 0.6395 0.6351
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3171
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0081 0.0488 0.0478
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0841 0.7906 0.7881
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0373
Trypanosoma brucei aldo-keto reductase, putative 0.0078 0.0461 0.0346
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0081 0.0488 1
Echinococcus multilocularis protein kinase shaggy 0.005 0.0182 0.0154
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0202 0.1668 0.1514
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Trypanosoma cruzi aldo-keto reductase 0.0078 0.0461 0.0461
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0356 0.3171 0.3163
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0081 0.0488 0.0373
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0071 0.0388 0.037
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Toxoplasma gondii FATC domain-containing protein 0.0202 0.1668 0.2136
Echinococcus granulosus tar DNA binding protein 0.0076 0.0442 0.0414
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.2035 0.2035
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0078 0.0461 0.0471
Plasmodium falciparum aldo-keto reductase, putative 0.0078 0.0461 0.9112
Leishmania major phosphatidylinositol kinase related protein, putative 0.0071 0.0388 0.0271
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0411 0.0401
Trichomonas vaginalis conserved hypothetical protein 0.0225 0.189 0.1792
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0071 0.0388 0.6712
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Brugia malayi NADH-dependent xylose reductase 0.0078 0.0461 0.0451
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0078 0.0461 0.9262
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0411 0.0383
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Schistosoma mansoni aldo-keto reductase 0.0078 0.0461 0.0451
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.026 0.2239 0.2216
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.009 0.0576 0.0565
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Mycobacterium tuberculosis Conserved protein 0.0078 0.0461 0.1492
Echinococcus granulosus protein kinase shaggy 0.005 0.0182 0.0154
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0841 0.7906 0.7881
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.926 0.9258
Echinococcus multilocularis voltage gated potassium channel subunit 0.0078 0.0461 0.0433
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.7269
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.012 0.0109
Schistosoma mansoni hypothetical protein 0.0071 0.0388 0.0377
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0102 0.0693 0.0682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0081 0.0488 0.0461
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0081 0.0488 0.0478
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2408 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0.0182 0.0182
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.044 0.3993 0.392
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni hypothetical protein 0.0205 0.1694 0.1685
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3171
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0078 0.0461 0.0461
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0102 0.0693 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0442 0.0442
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0081 0.0488 0.0509
Onchocerca volvulus 0.0078 0.0461 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0709 0.6617 0.6576
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.017 0.1358 0.1349
Trichomonas vaginalis aldo/keto reductase, putative 0.0078 0.0461 0.0346
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0202 0.1668 0.1659
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0113 0.0801 0.0631
Echinococcus granulosus hypothetical protein 0.0078 0.0461 0.0433
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0081 0.0488 0.0509
Trypanosoma cruzi aldo/keto reductase, putative 0.0078 0.0461 0.0461
Brugia malayi TAR-binding protein 0.0076 0.0442 0.0432
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Onchocerca volvulus 0.0078 0.0461 1
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Toxoplasma gondii target of rapamycin (TOR), putative 0.0785 0.7367 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0071 0.0388 0.0388
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0182 0.0182
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0081 0.0488 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0976 0.0866
Trichomonas vaginalis aldo/keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.017 0.1358 0.1253
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0202 0.1668 0.1659
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0411 0.0402
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Onchocerca volvulus 0.0043 0.012 0.2416
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Onchocerca volvulus 0.0043 0.012 0.2416
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0.0182 0.1693
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0047
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Trypanosoma brucei protein kinase, putative 0.005 0.0182 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Mycobacterium ulcerans oxidoreductase 0.0078 0.0461 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.017 0.1358 0.1253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Onchocerca volvulus 0.0078 0.0461 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Schistosoma mansoni cpg binding protein 0.0034 0.0029 0.0018
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0388 0.7848
Plasmodium falciparum aldehyde reductase, putative 0.0078 0.0461 0.9112
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0081 0.0488 0.0461
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0294 0.024
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.0976 0.0866
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0461 0.0284
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0442 0.0414
Loa Loa (eye worm) hypothetical protein 0.0134 0.1006 0.1006
Leishmania major aldo-keto reductase-like protein 0.0078 0.0461 0.0346
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0205 0.1694 0.1685
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.012 0.0091
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7835 0.7832
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Brugia malayi beta-lactamase 0.0043 0.012 0.0109
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0154 0.1198 0.1172
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0202 0.1668 0.1644
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.058
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.012 0.0109
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.7269
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Loa Loa (eye worm) hypothetical protein 0.0078 0.0461 0.0461
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0071 0.0388 0.0388
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Onchocerca volvulus 0.0071 0.0388 0.8368
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Plasmodium vivax aldehyde reductase, putative 0.0078 0.0461 0.9262
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.052
Schistosoma mansoni aldo-keto reductase 0.0078 0.0461 0.0451
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0693 0.058
Entamoeba histolytica hypothetical protein 0.0202 0.1668 0.1514
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0081 0.0488 0.0312
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0134 0.1006 0.098
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0365 0.0355
Leishmania major phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0271
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.017 0.1358 0.1198
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.026 0.2239 0.223
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0388
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0202 0.1668 0.1668
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0071 0.0388 0.0209
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0356 0.3171 0.3088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0071 0.0388 0.036
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0471
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0078 0.0461 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0078 0.0461 0.0346
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0356 0.3171 0.3163

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 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) 0.5858 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) 1.299 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 (binding) = 10 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) 50.1187 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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