Detailed information for compound 1441623

Basic information

Technical information
  • TDR Targets ID: 1441623
  • Name: [[amino-(4-methylphenyl)methylidene]amino] 3- [[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methy l]benzoate
  • MW: 429.392 | Formula: C22H18F3N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=N)NOC(=O)c1cccc(c1)Cn1cc(ccc1=O)C(F)(F)F
  • InChi: 1S/C22H18F3N3O3/c1-14-5-7-16(8-6-14)20(26)27-31-21(30)17-4-2-3-15(11-17)12-28-13-18(22(23,24)25)9-10-19(28)29/h2-11,13H,12H2,1H3,(H2,26,27)
  • InChiKey: PWOGOWBCRZQGLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(4-methylphenyl)methylene]amino] 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzoate
  • 3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzoic acid [[amino-(4-methylphenyl)methylene]amino] ester
  • 3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]benzoic acid [[amino-(4-methylphenyl)methylene]amino] ester
  • MLS000835036
  • O1-(3-{[2-oxo-5-(trifluoromethyl)-1,2-dihydro-1-pyridinyl]methyl}benzoyl)-4-methyl-1-benzenecarbohydroximamide
  • SMR000461652

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus 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 japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
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
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-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
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein 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
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
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
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.0487 0.0479
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0055 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0793 0.3341 0.3336
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.6806
Loa Loa (eye worm) hypothetical protein 0.0455 0.1821 0.1814
Leishmania major hypothetical protein, unknown function 0.0158 0.0487 0.0434
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2277 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0123
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0179 0.0582 0.0582
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0362 0.1403 0.1355
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0123
Brugia malayi jmjC domain containing protein 0.0071 0.0098 0.009
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0158 0.0487 0.0208
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.6806
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0362 0.1403 0.1355
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0158 0.0487 0.0434
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0123 0.0114
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0185 0.0611 0.0603
Entamoeba histolytica hypothetical protein 0.0158 0.0487 0.0208
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0433 0.1721 0.1714
Trichomonas vaginalis PIKK family atypical protein kinase 0.0793 0.3341 0.3336
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0098 0.009
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0285 0.023
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2277 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0222 0.0775 0.0723
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0055 0.0047
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0098 0.0098
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0313 0.0305
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0179 0.0582 0.0574
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0958 0.4078 0.4045
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.0542 0.0534
Leishmania major phosphatidylinositol 3-kinase, putative 0.0793 0.3341 0.3304
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0204 0.0695 0.0423
Trichomonas vaginalis fk506-binding protein, putative 0.0113 0.0285 0.0277
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0253 0.0915 0.0864
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0123
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2277 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0179 0.0582 0.0574
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0097 0.0215 0.0207
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0487 0.5
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0433 0.1721 0.1714
Loa Loa (eye worm) hypothetical protein 0.0501 0.2028 0.2021
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0113 0.0285 0.0277
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0158 0.0487 0.6806
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1822 0.7958 0.7947
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0179 0.0582 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1365 0.5908 0.5905
Trichomonas vaginalis PIKK family atypical protein kinase 0.1248 0.5383 0.5379
Echinococcus multilocularis protein dispatched 1 0.0058 0.0041 0.0032
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0222 0.0775 0.0767
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 1 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0179 0.0582 0.0306
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0055 0.0047
Entamoeba histolytica hypothetical protein 0.045 0.18 0.156
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0222 0.0775 0.0505
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0847 0.3584 0.3578
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0158 0.0487 0.0434
Entamoeba histolytica hypothetical protein 0.0158 0.0487 0.0208
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1822 0.7958 0.7947
Loa Loa (eye worm) phosphatidylinositol kinase 0.0158 0.0487 0.0479
Leishmania major fk506-binding protein 1-like protein 0.0113 0.0285 0.023
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0285 0.023
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.045 0.18 0.18
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0158 0.0487 0.0487
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2277 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0055 0.0047
Echinococcus multilocularis 0.0158 0.0487 0.0479
Schistosoma mansoni immunophilin 0.0113 0.0285 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0293 0.1092 0.1085
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0582 0.053
Entamoeba histolytica hypothetical protein 0.0319 0.121 0.0953
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0123 0.0114
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2277 1 1
Leishmania major hypothetical protein, conserved 0.0255 0.0925 0.0874
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0158 0.0487 0.0479
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0158 0.0487 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.1362 0.5892 0.5888
Trichomonas vaginalis PIKK family atypical protein kinase 0.1248 0.5383 0.5379
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0158 0.0487 0.0434
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0362 0.1403 0.1396
Loa Loa (eye worm) glutaminase 2 0.033 0.1261 0.1254
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0313 0.0305
Trichomonas vaginalis PIKK family atypical protein kinase 0.1362 0.5892 0.5888
Entamoeba histolytica protein kinase rad3, putative 0.045 0.18 0.156
Echinococcus multilocularis serine protein kinase ATM 0.045 0.18 0.1794
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0179 0.0582 0.0574
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0098 0.0098
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0343 0.132 0.1313
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0158 0.0487 0.0479
Loa Loa (eye worm) hypothetical protein 0.0293 0.1092 0.1085
Brugia malayi FAT domain containing protein 0.0343 0.132 0.1313
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0285 0.023
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0113 0.0285 0.0277
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0114 0.0289 0.0281
Leishmania major phosphatidylinositol kinase related protein, putative 0.0158 0.0487 0.0434
Echinococcus granulosus serine:threonine protein kinase SMG1 0.045 0.18 0.1794
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0362 0.1403 0.1151
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.5391 0.5387
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0285 0.023
Schistosoma mansoni hypothetical protein 0.0158 0.0487 0.0487
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0055 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.2277 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.2277 1 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0313 0.0029
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0501 0.2028 0.2674
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0847 0.3584 0.3578
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.045 0.18 0.1794
Loa Loa (eye worm) RNA binding protein 0.0076 0.0123 0.0114
Onchocerca volvulus 0.0158 0.0487 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.045 0.18 0.1794
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0098 0.009
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0113 0.0285 0.023
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0113 0.0285 0.0277
Loa Loa (eye worm) hypothetical protein 0.0099 0.0222 0.0214
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0293 0.1092 0.1043
Giardia lamblia Hypothetical protein 0.0158 0.0487 0.0434
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0179 0.0582 0.0574
Echinococcus granulosus expressed conserved protein 0.0112 0.0281 0.0273
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.2286 0.228
Loa Loa (eye worm) hypothetical protein 0.0119 0.0313 0.0305
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0847 0.3584 0.3548
Trichomonas vaginalis PIKK family atypical protein kinase 0.0793 0.3341 0.3336
Echinococcus multilocularis fk506 binding protein 0.0113 0.0285 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0462 0.1852 0.1845
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0123 0.0114
Loa Loa (eye worm) phosphatidylinositol 3 0.0504 0.2042 0.2035
Brugia malayi RNA binding protein 0.0076 0.0123 0.0114
Brugia malayi jmjC domain containing protein 0.0071 0.0098 0.009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0245 0.0878 0.061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0612 0.2529 0.2523
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0098 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.1362 0.5892 0.5888
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0123 0.0114
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0158 0.0487 0.0479
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0113 0.0285 0.0277
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.2286 0.228
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0362 0.1403 0.1396
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.045 0.18 0.1755
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0158 0.0487 0.0487
Loa Loa (eye worm) hypothetical protein 0.0074 0.0112 0.0104
Schistosoma mansoni glutaminase 0.033 0.1261 0.1261
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0547 0.2234 0.2234
Loa Loa (eye worm) hypothetical protein 0.0062 0.006 0.0052
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0362 0.1403 0.1396
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.5391 0.5387
Trichomonas vaginalis PIKK family atypical protein kinase 0.182 0.795 0.7948
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0179 0.0582 0.0306
Echinococcus granulosus serine protein kinase ATM 0.045 0.18 0.1794
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0158 0.0487 0.0434
Giardia lamblia GTOR 0.2277 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0222 0.0775 0.0775
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0805 0.3393 0.3356
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0222 0.0775 0.0767
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.8459 0.8458
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0336 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.0487 0.0479
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0582 0.053
Echinococcus multilocularis geminin 0.0205 0.0698 0.069
Echinococcus multilocularis Zinc finger, PHD finger 0.0179 0.0582 0.0574
Loa Loa (eye worm) hypothetical protein 0.0343 0.132 0.1313
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0179 0.0582 0.0574
Loa Loa (eye worm) hypothetical protein 0.045 0.18 0.1794
Trichomonas vaginalis PIKK family atypical protein kinase 0.0805 0.3393 0.3387
Brugia malayi MAP kinase sur-1 0.0062 0.0055 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.0487 0.0479
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0055 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.1248 0.5383 0.5379
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0158 0.0487 0.0479
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.5391 0.5387
Loa Loa (eye worm) hypothetical protein 0.0158 0.0487 0.0479
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0055 0.0047
Trichomonas vaginalis PIKK family atypical protein kinase 0.182 0.795 0.7948
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0462 0.1852 0.1613
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0319 0.121 0.0953
Entamoeba histolytica hypothetical protein 0.0158 0.0487 0.0208
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0296 0.1107 0.11
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0113 0.0285 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Trichomonas vaginalis PIKK family atypical protein kinase 0.045 0.18 0.1794
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0362 0.1403 0.1396
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0222 0.0775 0.0723
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0113 0.0285 0.0277
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0582 0.0714
Echinococcus granulosus tar DNA binding protein 0.0076 0.0123 0.0114
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.0336 0.0336
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0098 0.009
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0321 0.0321
Brugia malayi glutaminase DH11.1 0.033 0.1261 0.1254
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0547 0.2234 0.2228
Toxoplasma gondii FATC domain-containing protein 0.045 0.18 0.2365
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0179 0.0582 0.0574
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0055 0.0047
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0285 0.023
Schistosoma mansoni patched 1 0.0051 0.0008 0.0008
Schistosoma mansoni hypothetical protein 0.0343 0.132 0.132
Schistosoma mansoni immunophilin 0.0113 0.0285 0.0285
Leishmania major phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.0434
Loa Loa (eye worm) FKBP5 protein 0.0113 0.0285 0.0277
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0343 0.132 0.1313
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.0434
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0114 0.0289 0.0281
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0313 0.0305
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2277 1 1
Echinococcus granulosus neuropeptide s receptor 0.0558 0.2286 0.228
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0158 0.0487 0.0585
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0113 0.0285 0.0277
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0179 0.0582 1
Schistosoma mansoni hypothetical protein 0.0205 0.0698 0.0698
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0098 0.009
Onchocerca volvulus 0.0158 0.0487 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.1705 0.7433 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0179 0.0582 0.0574
Leishmania major phosphatidylinositol kinase, putative 0.0158 0.0487 0.0434
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.045 0.18 0.1755
Trichomonas vaginalis PIKK family atypical protein kinase 0.1528 0.6637 0.6634
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0158 0.0487 0.0487
Trichomonas vaginalis PIKK family atypical protein kinase 0.1705 0.7433 0.7431
Giardia lamblia Phosphatidylinositol 4-kinase 0.0158 0.0487 0.0434
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0123
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0055 0.0047
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.2286 0.228
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.0434
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.045 0.18 0.1794
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0179 0.0582 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0343 0.132 0.1313
Loa Loa (eye worm) phosphatidylinositol 3 0.0158 0.0487 0.0479
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0547 0.2234 0.2228
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0123 0.0123
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0158 0.0487 0.0434
Plasmodium vivax hypothetical protein 0.0158 0.0487 0.6806
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0205 0.0698 0.0698
Leishmania major peptidylprolyl isomerase-like protein 0.0113 0.0285 0.023
Trypanosoma cruzi target of rapamycin kinase 3 0.1822 0.7958 0.7947
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.045 0.18 0.1794
Mycobacterium leprae conserved hypothetical protein 0.0158 0.0487 0.5
Schistosoma mansoni fkbp-rapamycin associated protein 0.045 0.18 0.18
Trichomonas vaginalis PIKK family atypical protein kinase 0.182 0.795 0.7948
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0158 0.0487 0.0479
Echinococcus multilocularis expressed conserved protein 0.0112 0.0281 0.0273
Plasmodium vivax hypothetical protein, conserved 0.0158 0.0487 0.6806
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0222 0.0775 0.0767
Loa Loa (eye worm) glutaminase 0.033 0.1261 0.1254
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0158 0.0487 0.0585
Trichomonas vaginalis PIKK family atypical protein kinase 0.0793 0.3341 0.3336
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0582 0.053
Trichomonas vaginalis PIKK family atypical protein kinase 0.182 0.795 0.7948
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0113 0.0285 0.0285
Echinococcus granulosus geminin 0.0205 0.0698 0.069
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0114 0.0289 0.0281
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0296 0.1107 0.11
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0847 0.3584 0.3578
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0097 0.0215 0.0207
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0847 0.3584 0.3584
Trichomonas vaginalis glutaminase, putative 0.033 0.1261 0.1254
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0067 0.0059
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.0256 0.0248
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0114 0.0289 0.0281
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0064 0.0067 0.0012
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2277 1 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0158 0.0487 0.6806
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.1365 0.5908 0.5905
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0847 0.3584 0.3548
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0288 0.107 0.1063
Loa Loa (eye worm) phosphatidylinositol 3 0.2277 1 1
Loa Loa (eye worm) hypothetical protein 0.0288 0.107 0.1063
Loa Loa (eye worm) phosphatidylinositol 3 0.0805 0.3393 0.3387
Trichomonas vaginalis conserved hypothetical protein 0.0293 0.1092 0.1085
Trichomonas vaginalis immunophilin, putative 0.0113 0.0285 0.0277
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2277 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.0215 0.0207
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2277 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0285 0.023
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0201 0.068 0.0628
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0158 0.0487 0.6806
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0113 0.0285 0.0277
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0179 0.0582 0.053
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0158 0.0487 0.0479
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.0582 0.0582
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0098 0.0098
Trichomonas vaginalis PIKK family atypical protein kinase 0.1477 0.6409 0.6406
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0793 0.3341 0.3304
Trypanosoma cruzi hypothetical protein, conserved 0.0097 0.0217 0.0162
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.0542 0.0534
Leishmania major phosphatidylinositol 3-kinase, putative 0.0179 0.0582 0.053
Trichomonas vaginalis conserved hypothetical protein 0.0501 0.2028 0.2021
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0222 0.0775 0.0505
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.0582 0.0714
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0288 0.107 0.1063
Trichomonas vaginalis PIKK family atypical protein kinase 0.2277 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.0256 0.0248
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0805 0.3393 0.3356
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.045 0.18 0.1755
Brugia malayi TAR-binding protein 0.0076 0.0123 0.0114
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0158 0.0487 0.0479
Trichomonas vaginalis PIKK family atypical protein kinase 0.125 0.5391 0.5387
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0288 0.107 0.1063
Schistosoma mansoni immunophilin 0.0097 0.0215 0.0215
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0222 0.0775 0.0767
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1069 0.4579 0.4548
Trichomonas vaginalis PIKK family atypical protein kinase 0.182 0.795 0.7948
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0113 0.0285 0.023
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0113 0.0285 0.0277
Mycobacterium ulcerans glutaminase 0.033 0.1261 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5323 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9362 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) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.3601 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) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of alpha-syn 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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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