Detailed information for compound 696281

Basic information

Technical information
  • TDR Targets ID: 696281
  • Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl] pyrido[2,1-f][1,3,5]triazin-4-one
  • MW: 337.32 | Formula: C15H10F3N3OS
  • H donors: 0 H acceptors: 1 LogP: 3.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1nc(SCc2cccc(c2)C(F)(F)F)nc2n1cccc2
  • InChi: 1S/C15H10F3N3OS/c16-15(17,18)11-5-3-4-10(8-11)9-23-13-19-12-6-1-2-7-21(12)14(22)20-13/h1-8H,9H2
  • InChiKey: GPJCMILFXSRBQT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[3-(trifluoromethyl)phenyl]methylthio]-4-pyrido[2,1-f][1,3,5]triazinone
  • 2-[[3-(trifluoromethyl)benzyl]thio]pyrido[2,1-f][1,3,5]triazin-4-one
  • ZINC01384991
  • MLS000685838
  • SMR000324349
  • 11J-397S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0376 0.2054
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0166 0.2475 0.2475
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.101 0.101
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0688 0.4086
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0221 0.0211
Schistosoma mansoni protein kinase 0.0018 0.01 0.01
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0414 0.0414
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0049 0.0603 0.3057
Schistosoma mansoni cell adhesion molecule 0.0012 0.001 0.001
Entamoeba histolytica protein kinase, putative 0.0018 0.01 0.0254
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0057 0.0734 0.9397
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0414 0.0414
Leishmania major protein kinase, putative 0.0057 0.0734 0.3977
Onchocerca volvulus 0.0144 0.2137 0.4322
Echinococcus multilocularis protein kinase shaggy 0.0049 0.0603 0.0603
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0062 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0376 0.147
Echinococcus granulosus importin subunit beta 1 0.0059 0.0771 0.0771
Trypanosoma brucei glucosidase, putative 0.0111 0.1594 1
Entamoeba histolytica hypothetical protein 0.0037 0.0414 0.23
Loa Loa (eye worm) AUR protein kinase 0.0057 0.0734 0.0724
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0049 0.0603 0.0603
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0392 0.0392
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0688 0.3651
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1045 0.1045
Loa Loa (eye worm) hypothetical protein 0.0064 0.0837 0.0827
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0392 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0593 0.0684
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0688 0.3651
Mycobacterium tuberculosis Conserved protein 0.0035 0.0376 0.0146
Schistosoma mansoni alpha-glucosidase 0.0429 0.6711 0.6711
Loa Loa (eye worm) hypothetical protein 0.0014 0.0048 0.0037
Brugia malayi Protein kinase domain containing protein 0.0158 0.2351 0.2948
Brugia malayi Inositol-1 0.0036 0.0392 0.0425
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0158 0.2351 0.2351
Entamoeba histolytica protein kinase, putative 0.0018 0.01 0.0254
Entamoeba histolytica hypothetical protein 0.0048 0.059 0.3449
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0376 0.2054
Schistosoma mansoni ran 0.0022 0.0166 0.0166
Echinococcus multilocularis PAK box P21 Rho binding 0.0015 0.0061 0.0061
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0376 0.0146
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0062
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0688 0.0688
Trichomonas vaginalis maltase-glucoamylase, putative 0.0111 0.1594 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1676 0.1667
Echinococcus multilocularis GPCR, family 2 0.0015 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0015 0.0061 0.0061
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0221 0.0386
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0688 0.4183
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0392 0.1579
Echinococcus granulosus geminin 0.0339 0.5264 0.5264
Entamoeba histolytica hypothetical protein 0.0037 0.0414 0.23
Trichomonas vaginalis importin beta-1, putative 0.0048 0.059 0.3449
Giardia lamblia Flap structure-specific endonuclease 0.0025 0.0221 0.1909
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0221 0.0386
Trichomonas vaginalis ran, putative 0.0022 0.0166 0.0684
Leishmania major glycosyl hydrolase-like protein 0.0041 0.0479 0.2187
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0414 0.0414
Loa Loa (eye worm) fli-1 protein 0.0226 0.344 0.3433
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0015 0.0061 0.0061
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0392 0.0392
Schistosoma mansoni hypothetical protein 0.0634 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.2351 0.2343
Loa Loa (eye worm) beta-lactamase 0.0035 0.0376 0.0366
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0166 0.0156
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0392 0.2155
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0376 0.0146
Trichomonas vaginalis esterase, putative 0.0035 0.0376 0.2054
Giardia lamblia Aurora kinase 0.0057 0.0734 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1045 0.1045
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1045 0.1045
Echinococcus granulosus flap endonuclease 1 0.0025 0.0221 0.0221
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0158 0.2351 0.2351
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.059 0.3449
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0688 0.4086
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0111 0.1594 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0392 0.0392
Trichomonas vaginalis alpha-glucosidase, putative 0.0111 0.1594 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0062 0.0052
Mycobacterium leprae Probable lipase LipE 0.0035 0.0376 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.101 0.1001
Plasmodium falciparum serine/threonine protein kinase, putative 0.0057 0.0734 0.9397
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0018 0.01 0.01
Onchocerca volvulus 0.0049 0.0603 0.0556
Schistosoma mansoni serine/threonine protein kinase 0.0016 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Leishmania major alpha glucosidase II subunit, putative 0.0111 0.1594 1
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0688 0.0688
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0221 0.119
Brugia malayi beta-lactamase family protein 0.0035 0.0376 0.0405
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0049 0.0603 0.0603
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.3392 1
Brugia malayi Ets-domain containing protein 0.0074 0.101 0.1221
Mycobacterium tuberculosis Conserved protein 0.0035 0.0376 0.0146
Trichomonas vaginalis AGC family protein kinase 0.0057 0.0734 0.4389
Entamoeba histolytica hypothetical protein 0.0037 0.0414 0.23
Brugia malayi Importin beta-1 subunit 0.0059 0.0771 0.0913
Schistosoma mansoni serine/threonine protein kinase 0.0158 0.2351 0.2351
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0603 0.3532
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0166 0.0166
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0376 0.0376
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.059 0.2968
Brugia malayi MAP kinase sur-1 0.0054 0.0688 0.0806
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1045 0.1036
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0015 0.0061 0.0051
Trichomonas vaginalis STE family protein kinase 0.0018 0.01 0.0254
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0479 0.2722
Echinococcus multilocularis roundabout 2 0.0014 0.0048 0.0048
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0392 0.1579
Echinococcus granulosus rho-associated protein kinase 1 0.0144 0.2137 0.2137
Toxoplasma gondii ABC1 family protein 0.0035 0.0376 0.147
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0062
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.1594 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0057 0.0734 0.0734
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0376 0.2054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0062 0.0052
Brugia malayi MH2 domain containing protein 0.0116 0.1676 0.2079
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0392 0.2155
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0479 0.2722
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0771 0.4715
Brugia malayi Flap endonuclease-1 0.0025 0.0221 0.0206
Brugia malayi Glycosyl hydrolases family 31 protein 0.0499 0.7827 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0479 0.2722
Giardia lamblia Kinase, CMGC GSK 0.0049 0.0603 0.7928
Schistosoma mansoni importin beta-1 0.0059 0.0771 0.0771
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0221 0.1043
Brugia malayi RNA binding protein 0.0076 0.1045 0.1267
Echinococcus granulosus protein kinase shaggy 0.0049 0.0603 0.0603
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0603 0.3532
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0444 0.6952 0.6949
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.1594 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0376 0.2054
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0015 0.0061 0.0061
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0166 0.0836
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0376 0.0146
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0041 0.0479 0.2187
Trichomonas vaginalis AGC family protein kinase 0.0057 0.0734 0.4389
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0057 0.0734 0.4389
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0018 0.01 0.01
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0057 0.0734 0.4389
Trichomonas vaginalis alpha-glucosidase, putative 0.0111 0.1594 1
Entamoeba histolytica p21-activated kinase 0.0018 0.01 0.0254
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0018 0.01 0.01
Schistosoma mansoni gabp alpha 0.0074 0.101 0.101
Loa Loa (eye worm) AUR protein kinase 0.0057 0.0734 0.0724
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1045 0.1045
Trichomonas vaginalis STE family protein kinase 0.0018 0.01 0.0254
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0376 0.3475
Brugia malayi TAR-binding protein 0.0076 0.1045 0.1267
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0062
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0062 0.0062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1045 0.1036
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0062
Onchocerca volvulus 0.0288 0.4449 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0376 0.147
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1045 0.1267
Brugia malayi serine/threonine-protein kinase 6 0.0057 0.0734 0.0866
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0688 0.3651
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0376 0.0376
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0479 0.2722
Toxoplasma gondii aurora kinase 0.0057 0.0734 0.3977
Loa Loa (eye worm) hypothetical protein 0.0015 0.0061 0.0051
Trichomonas vaginalis STE family protein kinase 0.0018 0.01 0.0254
Brugia malayi serine/threonine-protein kinase PAK 7 0.0181 0.272 0.3424
Echinococcus multilocularis lysosomal alpha glucosidase 0.0499 0.7827 0.7827
Brugia malayi beta-lactamase family protein 0.0035 0.0376 0.0405
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0392 0.1579
Echinococcus granulosus GPCR family 2 0.0015 0.0062 0.0062
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0771 0.4715
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0392 0.2283
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0111 0.1594 0.1585
Trichomonas vaginalis STE family protein kinase 0.0018 0.01 0.0254
Plasmodium vivax flap endonuclease 1, putative 0.0025 0.0221 0.0912
Schistosoma mansoni ran 0.0022 0.0166 0.0166
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0771 0.0771
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0392 0.2155
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0111 0.1594 1
Echinococcus multilocularis geminin 0.0339 0.5264 0.5264
Echinococcus granulosus lysosomal alpha glucosidase 0.0499 0.7827 0.7827
Echinococcus granulosus twitchin 0.0014 0.0039 0.0039
Plasmodium falciparum importin beta, putative 0.0059 0.0771 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0111 0.1594 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0603 0.0593
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0376 0.0376
Echinococcus granulosus neutral alpha glucosidase AB 0.0111 0.1594 0.1594
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0057 0.0734 0.4389
Brugia malayi Glycosyl hydrolases family 31 protein 0.0111 0.1594 0.1974
Plasmodium falciparum glycogen synthase kinase 3 0.0049 0.0603 0.7224
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0148 0.2191 0.2182
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0479 0.2722
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0166 0.0166
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0015 0.0061 0.0061
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0688 0.4086
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0603 0.0593
Trypanosoma brucei protein kinase, putative 0.0054 0.0688 0.4183
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0479 0.2722
Mycobacterium tuberculosis Conserved protein 0.0035 0.0376 0.0146
Brugia malayi serine/threonine protein kinase 6 0.0057 0.0734 0.0866
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1045 0.1045
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0376 0.0146
Echinococcus multilocularis neutral alpha glucosidase AB 0.0111 0.1594 0.1594
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0376 0.2184
Trichomonas vaginalis alpha-glucosidase, putative 0.0111 0.1594 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0634 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0057 0.0734 0.4389
Schistosoma mansoni serine/threonine protein kinase 0.0144 0.2137 0.2137
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0221 0.0386
Schistosoma mansoni hypothetical protein 0.0037 0.0414 0.0414
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0062
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0062 0.0062
Echinococcus multilocularis aurora kinase A 0.0057 0.0734 0.0734
Entamoeba histolytica protein kinase , putative 0.0057 0.0734 0.4389
Echinococcus multilocularis lysosomal alpha glucosidase 0.0499 0.7827 0.7827
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0059 0.0771 0.0761
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0376 1
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0771 0.4232
Trypanosoma brucei aurora B kinase 0.0057 0.0734 0.4481
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0166 0.0135
Loa Loa (eye worm) RNA binding protein 0.0076 0.1045 0.1036
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0392 0.2155
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0688 0.0688
Schistosoma mansoni alpha glucosidase 0.0111 0.1594 0.1594
Schistosoma mansoni protein kinase 0.0015 0.0061 0.0061
Trichomonas vaginalis STE family protein kinase 0.0018 0.01 0.0254
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0376 0.0376
Schistosoma mansoni hypothetical protein 0.0339 0.5264 0.5264
Loa Loa (eye worm) AUR protein kinase 0.0057 0.0734 0.0724
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0603 0.3532
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0166 0.2475 0.2475
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0376 0.0405
Echinococcus granulosus tar DNA binding protein 0.0076 0.1045 0.1045
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0158 0.2351 0.2343
Schistosoma mansoni hypothetical protein 0.0339 0.5264 0.5264
Brugia malayi RNA, U transporter 1 0.0169 0.2529 0.3178
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0479 0.0537
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0688 0.3651
Entamoeba histolytica protein kinase, putative 0.0057 0.0734 0.4389
Schistosoma mansoni hypothetical protein 0.0015 0.0061 0.0061
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1045 0.1045
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0392 0.1579
Schistosoma mansoni hypothetical protein 0.0015 0.0062 0.0062
Schistosoma mansoni ets-related 0.0226 0.344 0.344
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0734 0.0734
Loa Loa (eye worm) inositol-1 0.0036 0.0392 0.0382
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0158 0.2351 0.2948
Entamoeba histolytica protein kinase, putative 0.0018 0.01 0.0254
Echinococcus granulosus PAK box P21 Rho binding 0.0015 0.0061 0.0061
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1676 0.1667
Echinococcus multilocularis rho associated protein kinase 0.0144 0.2137 0.2137
Trichomonas vaginalis AGC family protein kinase 0.0057 0.0734 0.4389
Brugia malayi Protein kinase domain 0.0018 0.01 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0593 0.0583
Plasmodium vivax importin-beta 2, putative 0.0059 0.0771 1
Brugia malayi Ets-domain containing protein 0.0074 0.101 0.1221
Brugia malayi beta-lactamase 0.0035 0.0376 0.0405
Schistosoma mansoni protein kinase 0.0057 0.0734 0.0734
Giardia lamblia Kinase, CMGC GSK 0.0049 0.0603 0.7928
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0062 0.0001
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0376 0.0366
Schistosoma mansoni hypothetical protein 0.0015 0.0061 0.0061
Trypanosoma brucei protein kinase, putative 0.0049 0.0603 0.3638
Entamoeba histolytica protein kinase, putative 0.0057 0.0734 0.4389
Echinococcus granulosus aurora kinase A 0.0057 0.0734 0.0734
Echinococcus multilocularis PAK box P21 Rho binding 0.0018 0.01 0.01
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0015 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0035 0.0376 0.0366
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0018 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0048 0.0593 0.0583
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0376 0.0146
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0688 0.9267
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0018 0.01 0.01
Schistosoma mansoni tyrosine kinase 0.0016 0.0075 0.0075
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0181 0.272 0.2712
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.001 0.001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0479 0.2722
Loa Loa (eye worm) hypothetical protein 0.0041 0.0479 0.0469
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0049 0.0603 0.3057
Entamoeba histolytica hypothetical protein 0.0037 0.0414 0.23
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0479 0.2722
Loa Loa (eye worm) hypothetical protein 0.0033 0.0347 0.0337
Schistosoma mansoni hypothetical protein 0.0033 0.0347 0.0347
Brugia malayi hypothetical protein 0.0037 0.0414 0.0454
Leishmania major hypothetical protein, conserved 0.0035 0.0376 0.147
Entamoeba histolytica protein kinase, putative 0.0018 0.01 0.0254
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0688 0.0688
Brugia malayi Immunoglobulin I-set domain containing protein 0.0148 0.2191 0.2742
Plasmodium falciparum flap endonuclease 1 0.0025 0.0221 0.0912
Entamoeba histolytica Ran family GTPase 0.0022 0.0166 0.0684
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0376 0.0146
Trichomonas vaginalis alpha-glucosidase, putative 0.0111 0.1594 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0688 0.3651
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0111 0.1594 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.059 0.3449
Loa Loa (eye worm) hypothetical protein 0.0014 0.0048 0.0037
Brugia malayi intracellular kinase 0.0049 0.0603 0.0697
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0688 0.3651
Trypanosoma brucei glycosyl hydrolase-like protein 0.0041 0.0479 0.2841
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0049 0.0603 0.3057
Brugia malayi serine/threonine kinase 12 0.0057 0.0734 0.0866
Trichomonas vaginalis sucrase-isomaltase, putative 0.0111 0.1594 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0111 0.1594 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0479 0.2722
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0688 0.3651
Echinococcus granulosus roundabout 2 0.0014 0.0048 0.0048
Schistosoma mansoni protein kinase 0.0018 0.01 0.01
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0499 0.7827 0.7824
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0049 0.0603 0.0603
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0041 0.0479 0.0251
Onchocerca volvulus Tyrosine kinase homolog 0.0138 0.2034 0.407
Trichomonas vaginalis AGC family protein kinase 0.0057 0.0734 0.4389
Schistosoma mansoni protein kinase 0.0018 0.01 0.01
Onchocerca volvulus 0.0135 0.1984 0.3946
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0057 0.0734 0.0734
Brugia malayi Fli-1 protein 0.0226 0.344 0.435
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0347 0.0368
Trypanosoma cruzi aurora B kinase, putative 0.0057 0.0734 0.3977
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0041 0.0479 0.2187
Plasmodium vivax glycogen synthase kinase 3, putative 0.0049 0.0603 0.7224
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0166 0.1039
Echinococcus multilocularis snurportin 1 0.0634 1 1
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0221 0.0221
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0158 0.2351 0.4848
Brugia malayi Protein kinase domain containing protein 0.0444 0.6952 0.8874
Leishmania major importin beta-1 subunit, putative 0.0048 0.059 0.2968
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0221 0.1043
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0688 0.0678
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0111 0.1594 1
Entamoeba histolytica protein kinase, putative 0.0049 0.0603 0.3532
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0688 0.4086
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0688 0.0688
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0392 1
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0603 0.3532
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0376 0.0146
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0018 0.01 0.01
Schistosoma mansoni inositol monophosphatase 0.0036 0.0392 0.0392
Onchocerca volvulus 0.0142 0.2098 0.4226
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0593 0.0684
Schistosoma mansoni alpha-glucosidase 0.0429 0.6711 0.6711
Schistosoma mansoni flap endonuclease-1 0.0023 0.0183 0.0183
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0376 0.2054

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) > 60 uM PUBCHEM_BIOASSAY: JMJD2A counterscreen for GASC1 inhibitors Measured in Biochemical System Using Plate Reader - 2043-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2123] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1475 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) 9.285 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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