Detailed information for compound 1342695

Basic information

Technical information
  • TDR Targets ID: 1342695
  • Name: 1-methyl-3-nitro-4-(phenylmethylamino)quinoli n-2-one
  • MW: 309.319 | Formula: C17H15N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)c([N+](=O)[O-])c(c2c1cccc2)NCc1ccccc1
  • InChi: 1S/C17H15N3O3/c1-19-14-10-6-5-9-13(14)15(16(17(19)21)20(22)23)18-11-12-7-3-2-4-8-12/h2-10,18H,11H2,1H3
  • InChiKey: NTMHISRCDDPCHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-methyl-3-nitro-4-(phenylmethylamino)-2-quinolinone
  • 4-(benzylamino)-1-methyl-3-nitro-carbostyril
  • 141945-52-0
  • ZINC03958338
  • Oprea1_762217
  • CBMicro_030128
  • DivK1c_005504
  • 4-(benzylamino)-1-methyl-3-nitro-2(1H)-quinolinone
  • MLS000570480
  • SMR000186906
  • BIM-0030199.P001
  • CDS1_004464
  • ChemDiv1_020702

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable 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
Mycobacterium ulcerans 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii FATC domain-containing protein 0.0202 0.1668 0.2136
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.017 0.1358 0.1198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0071 0.0388 0.7269
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1055 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7835 0.7828
Trypanosoma cruzi aldo-keto reductase 0.0078 0.0461 0.0461
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
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.017 0.1358 0.1253
Loa Loa (eye worm) hypothetical protein 0.0131 0.0976 0.0976
Schistosoma mansoni potassium channel beta 0.0078 0.0461 0.0451
Loa Loa (eye worm) hypothetical protein 0.0078 0.0461 0.0461
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0709 0.6617 0.6576
Loa Loa (eye worm) hypothetical protein 0.0202 0.1668 0.1668
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.012 0.012
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0081 0.0488 0.0373
Echinococcus multilocularis serine protein kinase ATM 0.0202 0.1668 0.1644
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0411 0.0401
Loa Loa (eye worm) hypothetical protein 0.0071 0.0388 0.0388
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0154 0.1198 0.1172
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0.0182 0.0086
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0102 0.0693 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Mycobacterium tuberculosis Probable oxidoreductase 0.0078 0.0461 0.1492
Echinococcus granulosus hypothetical protein 0.0078 0.0461 0.0433
Echinococcus multilocularis 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
Trypanosoma brucei aldo/keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0154 0.1198 0.1172
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0202 0.1668 0.1668
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Leishmania major aldo-keto reductase-like protein 0.0078 0.0461 0.0346
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3088
Loa Loa (eye worm) hypothetical protein 0.0214 0.1789 0.1789
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0461 0.0284
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0078 0.0461 0.9262
Mycobacterium leprae Possible oxidoreductase 0.0078 0.0461 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0081 0.0488 0.0461
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0134 0.1006 0.098
Mycobacterium ulcerans hypothetical protein 0.0078 0.0461 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0388
Brugia malayi beta-lactamase family protein 0.0043 0.012 0.0109
Echinococcus granulosus glycogen synthase kinase 3 beta 0.005 0.0182 0.0154
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 aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Echinococcus granulosus tar DNA binding protein 0.0076 0.0442 0.0414
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0202 0.1668 0.1567
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Brugia malayi beta-lactamase family protein 0.0043 0.012 0.0109
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0071 0.0388 0.0388
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1055 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0225 0.189 0.189
Plasmodium vivax aldehyde reductase, putative 0.0078 0.0461 0.9262
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
Schistosoma mansoni hypothetical protein 0.0205 0.1694 0.1685
Echinococcus multilocularis 0.0071 0.0388 0.036
Trichomonas vaginalis PIKK family atypical protein kinase 0.0285 0.2482 0.239
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.017 0.1358 0.1358
Mycobacterium tuberculosis Conserved protein 0.0078 0.0461 0.1492
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0202 0.1668 0.1659
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis conserved hypothetical protein 0.0154 0.1198 0.1091
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.012 0.012
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0356 0.3171 0.3088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0686 0.6395 0.6351
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0071 0.0388 0.037
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0078 0.0461 0.0471
Brugia malayi RNA binding protein 0.0076 0.0442 0.0432
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.005 0.0182 0.0171
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0.0182 0.0063
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0102 0.0693 0.058
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0411 0.0401
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.012 0.0109
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0071 0.0388 0.036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.012 0.0109
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.026 0.2239 0.2216
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0411 0.0383
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0081 0.0488 1
Schistosoma mansoni hypothetical protein 0.0154 0.1198 0.1188
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0071 0.0388 0.0271
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0102 0.0693 0.0693
Loa Loa (eye worm) phosphatidylinositol 3 0.1055 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0102 0.0693 0.0682
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0356 0.3171 0.3151
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.926 0.9258
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0081 0.0488 0.0478
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0373
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0294 0.024
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
Entamoeba histolytica hypothetical protein 0.0071 0.0388 0.0209
Trichomonas vaginalis aldo/keto reductase, putative 0.0078 0.0461 0.0346
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Trypanosoma cruzi target of rapamycin kinase 3 0.0841 0.7906 0.7906
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0488
Onchocerca volvulus 0.0071 0.0388 0.8368
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.026 0.2239 0.2216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0632 0.5865 0.5814
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7835 0.7828
Echinococcus granulosus serine protein kinase ATM 0.0202 0.1668 0.1644
Mycobacterium leprae conserved hypothetical protein 0.0071 0.0388 0.7848
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0373
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0071 0.0388 0.037
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.012 0.0091
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.0047
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0411 0.1274
Schistosoma mansoni aldo-keto reductase 0.0078 0.0461 0.0451
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.017 0.1358 0.1253
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0071 0.0388 0.0271
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.1055 1 1
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Brugia malayi TAR-binding protein 0.0076 0.0442 0.0432
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0202 0.1668 0.1668
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0182 0.0063
Plasmodium vivax hypothetical protein 0.0071 0.0388 0.7269
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3171
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0071 0.0388 0.6712
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Echinococcus granulosus geminin 0.0205 0.1694 0.167
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.012 0.0091
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.058
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0442 0.0414
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1055 1 1
Trypanosoma brucei prostaglandin f synthase 0.0078 0.0461 0.0346
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0081 0.0488 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Onchocerca volvulus 0.0078 0.0461 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0081 0.0488 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Giardia lamblia Aldose reductase 0.0078 0.0461 0.0284
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0388 0.7269
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0388
Toxoplasma gondii aldo-keto reductase 0.0078 0.0461 0.0471
Leishmania major phosphatidylinositol kinase related protein, putative 0.0071 0.0388 0.0271
Onchocerca volvulus 0.0078 0.0461 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0202 0.1668 0.1644
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0071 0.0388 0.0377
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1055 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0411 0.0295
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Plasmodium falciparum aldehyde reductase, putative 0.0078 0.0461 0.9112
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.052
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Leishmania major hypothetical protein, conserved 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 0.1055 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0102 0.0693 0.058
Trichomonas vaginalis PIKK family atypical protein kinase 0.057 0.5265 0.5207
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0102 0.0693 0.052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0081 0.0488 0.0488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0.0182 0.0182
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0471
Echinococcus multilocularis voltage gated potassium channel subunit 0.0078 0.0461 0.0433
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0071 0.0388 0.0388
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0841 0.7906 0.7881
Loa Loa (eye worm) phosphatidylinositol 3 0.024 0.2035 0.2035
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0071 0.0388 0.0209
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 hypothetical protein 0.0071 0.0388 0.0209
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Onchocerca volvulus 0.0078 0.0461 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0138 0.1045 0.0936
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0081 0.0488 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.0976 0.0866
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1055 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0411 0.0402
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1055 1 1
Echinococcus granulosus protein kinase shaggy 0.005 0.0182 0.0154
Loa Loa (eye worm) phosphatidylinositol 3 0.0071 0.0388 0.0388
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0078 0.0461 0.0346
Leishmania major phosphatidylinositol kinase, putative 0.0071 0.0388 0.0271
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0071 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0901 0.8498 0.8479
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0078 0.0461 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Entamoeba histolytica protein kinase rad3, putative 0.0202 0.1668 0.1514
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0071 0.0388 0.0271
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Giardia lamblia Aldose reductase 0.0078 0.0461 0.0284
Schistosoma mansoni cpg binding protein 0.0034 0.0029 0.0018
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7835 0.7832
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.009 0.0576 0.0565
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Brugia malayi FAT domain containing protein 0.0154 0.1198 0.1188
Echinococcus multilocularis geminin 0.0205 0.1694 0.167
Onchocerca volvulus 0.0078 0.0461 1
Entamoeba histolytica hypothetical protein 0.0202 0.1668 0.1514
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0081 0.0488 0.0312
Echinococcus granulosus 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
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0841 0.7906 0.7881
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.7269
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0442 0.0442
Trichomonas vaginalis aldo/keto reductase, putative 0.0078 0.0461 0.0346
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0078 0.0461 0.0346
Giardia lamblia Phosphatidylinositol 4-kinase 0.0071 0.0388 0.0209
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0356 0.3171 0.3151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.0976 0.0866
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0113 0.0801 0.0631
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1055 1 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0182 0.0063
Schistosoma mansoni cpg binding protein 0.0034 0.0029 0.0018
Entamoeba histolytica hypothetical protein 0.0149 0.1154 0.099
Mycobacterium tuberculosis Conserved hypothetical protein 0.0071 0.0388 0.1171
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0.0182 0.1693
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0078 0.0461 0.0346
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1055 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0271
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trypanosoma cruzi aldo/keto reductase, putative 0.0078 0.0461 0.0461
Schistosoma mansoni aldo-keto reductase 0.0078 0.0461 0.0451
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0134 0.1006 0.098
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.044 0.3993 0.392
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0078 0.0461 0.0451
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0081 0.0488 0.0461
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0442 0.0432
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0501 0.4584 0.4518
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0356 0.3171 0.3163
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0081 0.0488 0.0509
Loa Loa (eye worm) phosphatidylinositol kinase 0.0071 0.0388 0.0388
Toxoplasma gondii target of rapamycin (TOR), putative 0.0785 0.7367 1
Onchocerca volvulus 0.0078 0.0461 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0081 0.0488 0.0373
Trypanosoma cruzi aldo/keto reductase, putative 0.0078 0.0461 0.0461
Mycobacterium ulcerans oxidoreductase 0.0078 0.0461 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0356 0.3171 0.3088
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0071 0.0388 0.0377
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0081 0.0488 0.0312
Loa Loa (eye worm) beta-lactamase 0.0043 0.012 0.012
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Giardia lamblia Hypothetical protein 0.0071 0.0388 0.0209
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1055 1 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0078 0.0461 0.0284
Onchocerca volvulus 0.0043 0.012 0.2416
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0131 0.0976 0.0976
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0356 0.3171 0.3163
Schistosoma mansoni pol-related 0.0078 0.0461 0.0451
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1055 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Leishmania major phosphatidylinositol 3-kinase, putative 0.0081 0.0488 0.0373
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Toxoplasma gondii aldose reductase, putative 0.0078 0.0461 0.0471
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0138 0.1045 0.0936
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Onchocerca volvulus 0.005 0.0182 0.3803
Loa Loa (eye worm) RNA binding protein 0.0076 0.0442 0.0442
Loa Loa (eye worm) phosphatidylinositol 3 0.0356 0.3171 0.3171
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Schistosoma mansoni hypothetical protein 0.0205 0.1694 0.1685
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0102 0.0693 0.0682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0625 0.5804 0.5753
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis conserved hypothetical protein 0.0225 0.189 0.1792
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0081 0.0488 1
Entamoeba histolytica hypothetical protein 0.0071 0.0388 0.0209
Onchocerca volvulus 0.0078 0.0461 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1055 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0117 0.0841 0.0671
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0092 0.0592 0.0417
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0202 0.1668 0.1659
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Schistosoma mansoni hypothetical protein 0.0071 0.0388 0.0377
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0071 0.0388 0.0377
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.017 0.1358 0.1253
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0099 0.0665 0.0492
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0225 0.189 0.2443
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0078 0.0461 0.0451
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0134 0.1006 0.0996
Onchocerca volvulus 0.0043 0.012 0.2416
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0078 0.0461 0.0346
Loa Loa (eye worm) hypothetical protein 0.0134 0.1006 0.1006
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0071 0.0388 0.0377
Trichomonas vaginalis PIKK family atypical protein kinase 0.0571 0.5273 0.5216
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Onchocerca volvulus 0.0071 0.0388 0.8368
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 aldo-keto reductase, putative 0.0078 0.0461 0.0346
Leishmania major phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.0271
Leishmania major hypothetical protein, unknown function 0.0071 0.0388 0.0271
Leishmania major phosphatidylinositol 3-kinase, putative 0.0356 0.3171 0.3088
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0202 0.1668 0.1514
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0081 0.0488 0.0509
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0071 0.0388 0.6712
Entamoeba histolytica aldose reductase, putative 0.0078 0.0461 0.0284
Echinococcus granulosus voltage gated potassium channel subunit 0.0078 0.0461 0.0433
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.005 0.0182 0.0154
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.012 0.012
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0149 0.1154 0.099
Brugia malayi intracellular kinase 0.005 0.0182 0.0171
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0202 0.1668 0.1644
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2408 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0011 0.0011
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 granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0411 0.854
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0071 0.0388 0.7269
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0411 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.0461 0.0346
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0081 0.0488 0.0488
Echinococcus multilocularis Zinc finger, PHD finger 0.0081 0.0488 0.0461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0071 0.0388 0.0271
Onchocerca volvulus 0.0043 0.012 0.2416
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0081 0.0488 0.0478
Trichomonas vaginalis PIKK family atypical protein kinase 0.084 0.7898 0.7872
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Echinococcus granulosus aldo keto reductase 0.0078 0.0461 0.0433
Echinococcus multilocularis aldo keto reductase 0.0078 0.0461 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Brugia malayi beta-lactamase 0.0043 0.012 0.0109
Trypanosoma brucei aldo-keto reductase, putative 0.0078 0.0461 0.0346
Loa Loa (eye worm) CMGC/GSK protein kinase 0.005 0.0182 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.1055 1 1
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
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.017 0.1358 0.1358
Plasmodium falciparum aldo-keto reductase, putative 0.0078 0.0461 0.9112
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0071 0.0388 0.036
Brugia malayi NADH-dependent xylose reductase 0.0078 0.0461 0.0451
Loa Loa (eye worm) hypothetical protein 0.0154 0.1198 0.1198
Leishmania major prostaglandin f synthase, putative 0.0078 0.0461 0.0346
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
Echinococcus multilocularis protein kinase shaggy 0.005 0.0182 0.0154
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0078 0.0461 0.0433
Giardia lamblia GTOR 0.1055 1 1
Trypanosoma brucei protein kinase, putative 0.005 0.0182 0.0063
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0071 0.0388 0.036
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0442 0.0432
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0356 0.3171 0.3088
Schistosoma mansoni fkbp-rapamycin associated protein 0.0202 0.1668 0.1659
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Trichomonas vaginalis aldo-keto reductase, putative 0.0078 0.0461 0.0346
Onchocerca volvulus 0.0078 0.0461 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.017 0.1358 0.1349
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.026 0.2239 0.223
Trichomonas vaginalis PIKK family atypical protein kinase 0.0202 0.1668 0.1567
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.012 0.0109
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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0785 0.7367 0.7335
Loa Loa (eye worm) oxidoreductase 0.0078 0.0461 0.0461
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0365 0.0355
Loa Loa (eye worm) hypothetical protein 0.0043 0.012 0.012
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0078 0.0461 0.0346

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 8.2753 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) = 15.8489 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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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