Detailed information for compound 1441968

Basic information

Technical information
  • TDR Targets ID: 1441968
  • Name: N-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-3-n itrobenzamide
  • MW: 300.309 | Formula: C16H16N2O4
  • H donors: 2 H acceptors: 4 LogP: 3.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1cc(C)c(cc1O)C
  • InChi: 1S/C16H16N2O4/c1-9-4-5-12(8-14(9)18(21)22)16(20)17-13-6-10(2)11(3)7-15(13)19/h4-8,19H,1-3H3,(H,17,20)
  • InChiKey: AZNGOAOMFJLNAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-Hydroxy-4,5-dimethyl-phenyl)-4-methyl-3-nitro-benzamide
  • Oprea1_033822
  • ZINC00330826
  • Oprea1_790862
  • BAS 02759618
  • MLS000703380
  • SMR000273844

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0204 0.3263
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1118 0.2238
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.2511 0.5082
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0204 0.047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1518 0.2895
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0031
Leishmania major cytochrome p450-like protein 0.0051 0.0414 0.0793
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0913 0.1563
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1518 0.2895
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0417 0.0877
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0041 0.0084
Entamoeba histolytica hypothetical protein 0.0089 0.0808 0.1332
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0063 0.0539 0.1059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.375 0.7813
Loa Loa (eye worm) hypothetical protein 0.0394 0.3956 0.8339
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.003 0.0204 0.043
Brugia malayi hypothetical protein 0.0286 0.2839 0.5985
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0089 0.0808 0.1332
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.003 0.0204 0.0376
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.003 0.0204 0.0376
Schistosoma mansoni immunophilin 0.0457 0.4604 0.9225
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.047 0.4743 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0017 0.0035
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Leishmania major fk506-binding protein 1-like protein 0.0457 0.4604 0.9705
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0414 0.087
Loa Loa (eye worm) hypothetical protein 0.0286 0.2839 0.5983
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.1518 0.3198
Schistosoma mansoni patched 1 0.0051 0.0417 0.0806
Onchocerca volvulus 0.003 0.0204 0.3579
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.003 0.0204 0.0346
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0063 0.0539 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.003 0.0204 0.0346
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.065 0.1274
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0017 0.0015
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0063 0.0539 0.1078
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.0763
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.047 0.4743 1
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1645 0.3294
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.003 0.0204 0.0406
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0059 0.0495 0.0966
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0417 0.0834
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0017 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0539 0.0739
Echinococcus multilocularis Zinc finger, PHD finger 0.003 0.0204 0.0202
Schistosoma mansoni phosphatidylinositol 4-kinase 0.003 0.0204 0.0376
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.003 0.0204 0.0406
Trypanosoma brucei cytochrome P450, putative 0.0051 0.0414 0.0793
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0017 0.0035
Echinococcus multilocularis fk506 binding protein 0.0457 0.4604 0.4604
Schistosoma mansoni hypothetical protein 0.0049 0.0398 0.0768
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0017 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0017 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0457 0.4604 0.9694
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.003 0.0204 0.0346
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.003 0.0204 0.0406
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0158 0.1518 0.1517
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.003 0.0204 0.0346
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0099 0.0913 0.2521
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0457 0.4604 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0089 0.0808 0.1704
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0063 0.0539 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.4743 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.499 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.375 0.7813
Brugia malayi CHE-14 protein 0.0051 0.0417 0.088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.2507 0.5074
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0495 0.0642
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0017 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0017 0.0035
Loa Loa (eye worm) phosphatidylinositol 3 0.047 0.4743 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0269 0.0268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.279 0.5698
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.003 0.0204 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0059 0.0495 0.0642
Schistosoma mansoni fkbp-rapamycin associated protein 0.0089 0.0808 0.1592
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0017 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0457 0.4604 0.9707
Schistosoma mansoni cytochrome P450 0.0015 0.0041 0.0049
Schistosoma mansoni hypothetical protein 0.003 0.0204 0.0376
Schistosoma mansoni immunophilin 0.0457 0.4604 0.9225
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0063 0.0539 0.1134
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.0739
Echinococcus multilocularis 0.0015 0.0041 0.004
Loa Loa (eye worm) hypothetical protein 0.0051 0.0417 0.0877
Leishmania major hypothetical protein, unknown function 0.003 0.0204 0.0346
Loa Loa (eye worm) hypothetical protein 0.0096 0.088 0.1852
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0457 0.4604 0.9694
Brugia malayi nuclear receptor NHR-88 0.0012 0.0017 0.0035
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Schistosoma mansoni hypothetical protein 0.0049 0.0398 0.0768
Echinococcus multilocularis expressed conserved protein 0.0112 0.1044 0.1042
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0051 0.0414 0.0817
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0457 0.4604 0.9227
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1137 0.2253
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0017 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0017 0.0035
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.003 0.0204 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.2507 0.5074
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.003 0.0204 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0015
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0204 0.047
Schistosoma mansoni hypothetical protein 0.0049 0.0398 0.0768
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0158 0.1518 0.32
Echinococcus granulosus serine protein kinase ATM 0.0089 0.0808 0.1618
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0017 0.0035
Brugia malayi CXXC zinc finger family protein 0.0035 0.0249 0.0524
Toxoplasma gondii FATC domain-containing protein 0.0089 0.0808 0.2218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.375 0.7813
Echinococcus multilocularis protein dispatched 1 0.0058 0.0492 0.049
Schistosoma mansoni hypothetical protein 0.0049 0.0398 0.0768
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0017 0.0031
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0041 0.008
Loa Loa (eye worm) hypothetical protein 0.0069 0.06 0.1263
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1118 0.1117
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.003 0.0204 0.0202
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0374 0.3754 0.7897
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0089 0.0808 0.1592
Schistosoma mansoni hypothetical protein 0.0069 0.06 0.1173
Loa Loa (eye worm) hypothetical protein 0.0059 0.0495 0.1042
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0063 0.0539 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.4743 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0457 0.4604 0.9705
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.047 0.4743 0.9504
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.047 0.4743 1
Echinococcus multilocularis protein patched 0.0051 0.0417 0.0416
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0031
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.003 0.0204 0.0346
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0394 0.3956 0.7927
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0158 0.1518 0.3141
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0249 0.0521
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.003 0.0204 0.0346
Trichomonas vaginalis fk506-binding protein, putative 0.0063 0.0539 0.0739
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0457 0.4604 0.9705
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0063 0.0539 0.144
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0204 0.047
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.047 0.4743 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.003 0.0204 0.0406
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0569 0.1526
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0017 0.0032
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0394 0.3956 0.3955
Trypanosoma cruzi cytochrome P450, putative 0.0051 0.0414 0.0793
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0017 0.0031
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0204 0.0427
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.2511 0.5082
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0063 0.0539 0.1059
Loa Loa (eye worm) FKBP5 protein 0.0457 0.4604 0.9707
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0017 0.0035
Schistosoma mansoni cpg binding protein 0.0037 0.0269 0.0508
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1518 0.2895
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0063 0.0539 0.1059
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0031
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.0763
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0457 0.4604 0.9707
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0204 0.0427
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0017 0.0032
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.003 0.0204 0.0202
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0204 0.047
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Loa Loa (eye worm) hypothetical protein 0.003 0.0204 0.0427
Giardia lamblia Hypothetical protein 0.0063 0.0539 0.0739
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0063 0.0539 0.144
Trypanosoma cruzi target of rapamycin kinase 3 0.0374 0.3754 0.7897
Brugia malayi cytochrome P450 0.0015 0.0041 0.0087
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2839 0.5688
Brugia malayi FAT domain containing protein 0.0069 0.06 0.1265
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0158 0.1518 0.3141
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.2511 0.5082
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0015
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0063 0.0539 0.0739
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.003 0.0204 0.0202
Onchocerca volvulus 0.0063 0.0539 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0017 0.0035
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0089 0.0808 0.1704
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0457 0.4604 0.9227
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0204 0.0427
Brugia malayi Cytochrome P450 family protein 0.0051 0.0414 0.0873
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0457 0.4604 0.9225
Leishmania major phosphatidylinositol 4-kinase, putative 0.003 0.0204 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1518 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0253 0.2507 0.5074
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0017 0.0035
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.003 0.0204 0.047
Echinococcus granulosus cpg binding protein 0.0037 0.0269 0.0537
Giardia lamblia GTOR 0.047 0.4743 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0417 0.0471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0254 0.2511 0.5082
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0204 0.0427
Toxoplasma gondii target of rapamycin (TOR), putative 0.035 0.35 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0017 0.0032
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0457 0.4604 1
Echinococcus multilocularis 0.003 0.0204 0.0202
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0158 0.1518 0.3141
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0204 0.0427
Trichomonas vaginalis immunophilin, putative 0.0457 0.4604 0.9694
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0808 0.1332
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0017 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0017 0.0035
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0457 0.4604 0.9694
Loa Loa (eye worm) cytochrome P450 0.0015 0.0041 0.0084
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0017 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0401 0.4034 0.8437
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0417 0.0416
Schistosoma mansoni hypothetical protein 0.0058 0.0492 0.0956
Trichomonas vaginalis fk506-binding protein, putative 0.0457 0.4604 0.9694
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1118 0.2357
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0017 0.0032
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.003 0.0204 0.0202
Trichomonas vaginalis fk506-binding protein, putative 0.0063 0.0539 0.0739
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0017 0.0032
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0031
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.003 0.0204 0.0376
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0457 0.4604 0.9694
Schistosoma mansoni survival motor neuron protein 0.0058 0.0492 0.0956
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0374 0.3754 0.7897
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.047 0.4743 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0305 0.3041 0.625
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0063 0.0539 0.1137
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.003 0.0204 0.0427
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.2761 0.5634
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0063 0.0539 0.0739
Onchocerca volvulus 0.0058 0.0492 0.9093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0015
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.003 0.0204 0.0346
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0063 0.0539 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.06 0.0873
Leishmania major peptidylprolyl isomerase-like protein 0.0457 0.4604 0.9705
Schistosoma mansoni immunophilin 0.0394 0.3956 0.7921
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.003 0.0204 0.0376
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.047 0.4743 0.4743
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0457 0.4604 0.9707
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0063 0.0539 0.1137
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0492 0.1037
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.003 0.0204 0.0346
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0222 0.2186 0.456
Schistosoma mansoni cpg binding protein 0.0035 0.0249 0.0467
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0017 0.0035
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0017 0.0035
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0069 0.06 0.0599
Loa Loa (eye worm) hypothetical protein 0.0089 0.0808 0.1702
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0063 0.0539 0.1137
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.047 0.4743 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0158 0.1518 0.304
Trypanosoma cruzi cytochrome P450, putative 0.0051 0.0414 0.0793
Loa Loa (eye worm) hypothetical protein 0.0036 0.0263 0.0553
Brugia malayi nuclear hormone receptor 0.0012 0.0017 0.0035
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0457 0.4604 0.4604
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0808 0.1332
Leishmania major phosphatidylinositol 3-kinase, putative 0.0158 0.1518 0.3141
Echinococcus granulosus expressed conserved protein 0.0112 0.1044 0.2089
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.047 0.4743 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0063 0.0539 0.144
Leishmania major phosphatidylinositol kinase, putative 0.003 0.0204 0.0346
Brugia malayi steroid hormone receptor 0.0012 0.0017 0.0035
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.499 0.4989
Loa Loa (eye worm) hypothetical protein 0.0062 0.0536 0.1127
Mycobacterium leprae conserved hypothetical protein 0.003 0.0204 0.3263
Loa Loa (eye worm) hypothetical protein 0.0119 0.1118 0.2355
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0017 0.0015
Onchocerca volvulus 0.0035 0.0249 0.4439
Brugia malayi Cytochrome P450 family protein 0.0015 0.0041 0.0087
Onchocerca volvulus 0.003 0.0204 0.3579
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.047 0.4743 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.003 0.0204 0.0346
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0089 0.0808 0.1618
Loa Loa (eye worm) hypothetical protein 0.0063 0.0539 0.1134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.1518 0.2895
Leishmania major phosphatidylinositol kinase related protein, putative 0.003 0.0204 0.0346
Loa Loa (eye worm) hypothetical protein 0.003 0.0204 0.0427
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.003 0.0204 0.0346
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0089 0.0808 0.1632
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1118 0.2014
Echinococcus multilocularis 0.0063 0.0539 0.0538
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0457 0.4604 0.9705
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.0204 0.043
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0414 0.087
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.003 0.0204 0.0406
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Loa Loa (eye worm) phosphatidylinositol kinase 0.003 0.0204 0.0427
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0457 0.4604 0.9694
Mycobacterium ulcerans hypothetical protein 0.0063 0.0539 0.1092
Entamoeba histolytica protein kinase rad3, putative 0.0089 0.0808 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.375 0.7813
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.0032
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.003 0.0204 0.0346
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.003 0.0204 0.0202
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0158 0.1518 0.3141
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.003 0.0204 0.0406
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0063 0.0539 0.144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.2761 0.5634
Schistosoma mansoni phosphatidylinositol 4-kinase 0.003 0.0204 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.375 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.279 0.5698
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.0204 0.0346
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0089 0.0808 0.1632
Loa Loa (eye worm) hypothetical protein 0.0099 0.0913 0.1923
Echinococcus multilocularis serine protein kinase ATM 0.0089 0.0808 0.0807
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0457 0.4604 0.9705
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.003 0.0204 0.0346
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0017 0.0032
Schistosoma mansoni cpg binding protein 0.0037 0.0269 0.0508
Loa Loa (eye worm) CYP4Cod1 0.0051 0.0414 0.087
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0158 0.1518 0.3019
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0457 0.4604 0.9705
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0808 0.1332
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0457 0.4604 0.9705
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0031
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.003 0.0204 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0281 0.279 0.5698
Brugia malayi ecdysteroid receptor 0.0012 0.0017 0.0035
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1645 0.1644
Schistosoma mansoni hypothetical protein 0.0494 0.499 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0089 0.0808 0.0807
Trypanosoma brucei hypothetical protein, conserved 0.0063 0.0539 0.1059
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0015
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0063 0.0539 0.1134
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0017 0.0035
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.35 0.7261
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0063 0.0539 0.5
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0063 0.0539 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0063 0.0539 0.1059
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0063 0.0539 0.0538
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0063 0.0539 0.0739
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.003 0.0204 0.0346
Leishmania major hypothetical protein, conserved 0.003 0.0204 0.0346
Onchocerca volvulus 0.0063 0.0539 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.047 0.4743 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0041 0.0087
Schistosoma mansoni fk506 binding protein 0.0063 0.0539 0.1051
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0457 0.4604 1
Schistosoma mansoni hypothetical protein 0.0063 0.0539 0.1051
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0089 0.0808 0.1632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0315 0.3146 0.6481
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.047 0.4743 0.9506
Brugia malayi Cytochrome P450 family protein 0.0051 0.0414 0.0873
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0457 0.4604 0.9694
Trichomonas vaginalis fk506 binding protein, putative 0.0063 0.0539 0.0739
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0417 0.0834
Trichomonas vaginalis PIKK family atypical protein kinase 0.047 0.4743 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0457 0.4604 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2839 0.2838
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0063 0.0539 0.1134
Echinococcus granulosus FK506 binding protein 2 0.0063 0.0539 0.1078
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.003 0.0204 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0539 0.0739
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0069 0.06 0.12
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0049
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0195 0.1906 0.3966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.1193 0.2178
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0158 0.1518 0.3141
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.003 0.0204 0.0346

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.3115 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) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.31 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1078 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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