Detailed information for compound 1342977

Basic information

Technical information
  • TDR Targets ID: 1342977
  • Name: 2-methoxy-6-[[[3-(trifluoromethyl)phenyl]amin o]methyl]phenol
  • MW: 297.272 | Formula: C15H14F3NO2
  • H donors: 2 H acceptors: 1 LogP: 3.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1O)CNc1cccc(c1)C(F)(F)F
  • InChi: 1S/C15H14F3NO2/c1-21-13-7-2-4-10(14(13)20)9-19-12-6-3-5-11(8-12)15(16,17)18/h2-8,19-20H,9H2,1H3
  • InChiKey: UETBKYQPBFBOKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ST5445310
  • 2-methoxy-6-({[3-(trifluoromethyl)phenyl]amino}methyl)phenol
  • MLS000682293
  • SMR000314654
  • EU-0095724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major phosphatidylinositol kinase related protein, putative 0.0078 0.0307 0.0307
Echinococcus granulosus neuroglian 0.0047 0.0034 0.0034
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0307 0.0307
Loa Loa (eye worm) hypothetical protein 0.0055 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0146 0.0905 0.0905
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0171 0.1127 0.1127
Echinococcus granulosus protein kinase shaggy 0.0049 0.0049 0.0049
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1355 0.1355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0702 0.583 0.583
Echinococcus granulosus serine protein kinase ATM 0.0224 0.1598 0.1598
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Entamoeba histolytica hypothetical protein 0.0078 0.0307 0.0307
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1173 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0702 0.583 0.583
Leishmania major hypothetical protein, conserved 0.0078 0.0307 0.0307
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0137 0.083 0.083
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0171 0.1127 0.1127
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0224 0.1598 0.1598
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0635 0.5233 0.5233
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0078 0.0307 0.0307
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0224 0.1598 0.1598
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0088 0.0392 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0224 0.1598 0.1598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0788 0.6589 0.6589
Trichomonas vaginalis conserved hypothetical protein 0.0171 0.1129 0.1129
Plasmodium vivax hypothetical protein 0.0078 0.0307 0.7517
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0151 0.0955 0.0955
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0088 0.0392 0.0392
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0103 0.0103
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0049 0.0049
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0395 0.3113 0.3113
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0395 0.3113 0.3113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.5225 0.5225
Entamoeba histolytica protein kinase, putative 0.0049 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0249 0.1822 0.1822
Echinococcus multilocularis roundabout 2 0.0055 0.0102 0.0102
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0255 0.1872 0.1872
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1173 1 1
Loa Loa (eye worm) hypothetical protein 0.0238 0.1725 0.1725
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0489 0.3942 0.3942
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0078 0.0307 0.0307
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0307 0.0307
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0224 0.1598 0.1598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0763 0.6365 0.6365
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0395 0.3113 0.3113
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0078 0.0307 0.0307
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0224 0.1598 0.1598
Trypanosoma brucei protein kinase, putative 0.0049 0.0049 0.0049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.3113 0.3113
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1355 0.1355
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0171 0.1127 0.1127
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0307 0.0307
Onchocerca volvulus 0.0353 0.2737 0.9723
Loa Loa (eye worm) hypothetical protein 0.0137 0.083 0.083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.3113 0.3113
Onchocerca volvulus 0.0114 0.0621 0.2068
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1173 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0107 0.0565 0.0565
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0078 0.0307 0.0307
Onchocerca volvulus 0.0078 0.0307 0.0932
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0088 0.0392 0.0534
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0107 0.0565 0.0565
Trichomonas vaginalis PIKK family atypical protein kinase 0.1002 0.8485 0.8485
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0088 0.0392 0.0392
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0088 0.0392 0.0392
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0171 0.1127 0.1127
Onchocerca volvulus Tyrosine kinase homolog 0.0361 0.2813 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0873 0.7345 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0224 0.1598 0.1598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0702 0.583 0.583
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0088 0.0392 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0935 0.7888 0.7888
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0224 0.1598 0.1598
Schistosoma mansoni hypothetical protein 0.0078 0.0307 0.0307
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0078 0.0307 0.0307
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1355 0.1355
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.7517
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0307 0.0418
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0088 0.0392 0.0392
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0078 0.0307 0.0307
Entamoeba histolytica hypothetical protein 0.0078 0.0307 0.0307
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0395 0.3113 0.3113
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0078 0.0307 0.0307
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0249 0.1822 0.2481
Echinococcus multilocularis 0.0078 0.0307 0.0307
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0088 0.0392 0.0392
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1173 1 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0224 0.1598 0.1598
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.5225 0.5225
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0307 0.0307
Schistosoma mansoni cell adhesion molecule 0.0049 0.0049 0.0049
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0395 0.3113 0.3113
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0098 0.048 0.0432
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0137 0.083 0.083
Echinococcus multilocularis Zinc finger, PHD finger 0.0088 0.0392 0.0392
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1173 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0224 0.1598 0.1598
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0122 0.069 0.0644
Echinococcus multilocularis protein kinase shaggy 0.0049 0.0049 0.0049
Leishmania major phosphatidylinositol 3-kinase, putative 0.0395 0.3113 0.3113
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1173 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0088 0.0392 0.0392
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0635 0.5233 0.5233
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0088 0.0392 0.0534
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6991 0.6991
Entamoeba histolytica protein kinase rad3, putative 0.0224 0.1598 0.1598
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0137 0.083 0.083
Trichomonas vaginalis PIKK family atypical protein kinase 0.0634 0.5225 0.5225
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0118 0.0657 0.0657
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0088 0.0392 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.1173 1 1
Toxoplasma gondii FATC domain-containing protein 0.0224 0.1598 0.2176
Onchocerca volvulus 0.0078 0.0307 0.0932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0317 0.2419 0.2419
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0049 0.0049 0.0049
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0078 0.0307 0.7517
Trypanosoma cruzi target of rapamycin kinase 3 0.0935 0.7888 0.7888
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.1173 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0088 0.0392 0.0392
Entamoeba histolytica hypothetical protein 0.0151 0.0955 0.0955
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0171 0.1127 0.1127
Brugia malayi intracellular kinase 0.0049 0.0049 0.0049
Leishmania major hypothetical protein, unknown function 0.0078 0.0307 0.0307
Loa Loa (eye worm) phosphatidylinositol 3 0.1173 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0307 0.7517
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0307 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0307 0.0307
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8283 0.8283
Schistosoma mansoni nephrin 0.0047 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0049 0.0049 0.0049
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0224 0.1598 0.1598
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0078 0.0307 0.0307
Loa Loa (eye worm) phosphatidylinositol 3 0.0236 0.1699 0.1699
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.788 0.788
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0078 0.0307 0.0307
Echinococcus multilocularis serine protein kinase ATM 0.0224 0.1598 0.1598
Leishmania major phosphatidylinositol kinase, putative 0.0078 0.0307 0.0307
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0078 0.0307 0.7517
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0171 0.1127 0.1127
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0107 0.0565 0.0565
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0307 0.0307
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0307 0.0307
Echinococcus granulosus twitchin 0.0048 0.0038 0.0038
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0107 0.0565 0.0565
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0935 0.7888 0.7888
Schistosoma mansoni hypothetical protein 0.0171 0.1129 0.1129
Echinococcus granulosus roundabout 2 0.0055 0.0102 0.0102
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1173 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0307 0.0307
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6991 0.6991
Brugia malayi Immunoglobulin I-set domain containing protein 0.0405 0.3195 0.3195
Giardia lamblia Hypothetical protein 0.0078 0.0307 0.0259
Giardia lamblia GTOR 0.1173 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0141 0.0863 0.0863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0905 0.0905
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0088 0.0392 0.0392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.788 0.788
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.3113 0.3113
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0565 0.0565
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0049 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0055 0.0102 0.0102
Schistosoma mansoni alpha-glucosidase 0.0169 0.1113 0.1113
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0556 0.4539 0.4539
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.063 0.5189 0.5189
Loa Loa (eye worm) phosphatidylinositol kinase 0.0078 0.0307 0.0307
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0093 0.0434 0.0434
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0049 0.0049 0.0049
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0088 0.0392 0.0392
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0088 0.0392 0.0392
Giardia lamblia Phosphatidylinositol 4-kinase 0.0078 0.0307 0.0259
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6991 0.6991
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.3113 0.3113
Entamoeba histolytica protein kinase domain containing protein 0.0049 0.0049 0.0049
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0405 0.3195 0.3195
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0146 0.0905 0.0905
Trichomonas vaginalis PIKK family atypical protein kinase 0.1173 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0049 0.0049
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1173 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.788 0.788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0635 0.5233 0.5233
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0107 0.0565 0.0565
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0049 0.0049
Brugia malayi FAT domain containing protein 0.0171 0.1129 0.1129
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0049 0.0049 0.0067
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0088 0.0392 0.0392
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0255 0.1872 0.1872
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0307 0.0307
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0107 0.0565 0.0565
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0088 0.0392 0.0392
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1173 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0905 0.0905
Trichomonas vaginalis conserved hypothetical protein 0.0249 0.1822 0.1822
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.3113 0.3113
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0141 0.0863 0.0863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.5768 0.5768
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0255 0.1872 0.1872
Schistosoma mansoni alpha-glucosidase 0.0169 0.1113 0.1113
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0049 0.0049
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0171 0.1129 0.1129
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Loa Loa (eye worm) hypothetical protein 0.0224 0.1598 0.1598
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0107 0.0565 0.0565
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1355 0.1355
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0224 0.1598 0.1598
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0395 0.3113 0.3113
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0635 0.5233 0.5233
Entamoeba histolytica hypothetical protein 0.0078 0.0307 0.0307
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0078 0.0307 0.7517
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.788 0.788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.5768 0.5768
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.0307 0.0307
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0171 0.1129 0.1129
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0103 0.0103
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.3113 0.3113
Entamoeba histolytica hypothetical protein 0.0224 0.1598 0.1598
Leishmania major phosphatidylinositol 3-kinase, putative 0.0088 0.0392 0.0392
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0049 0.0049 0.0049
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0088 0.0392 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0049 0.0049 0.0049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0103 0.0103
Echinococcus multilocularis neuroglian 0.0047 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0078 0.0307 0.0307
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0088 0.0392 0.0392
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0107 0.0565 0.0565
Mycobacterium tuberculosis Conserved hypothetical protein 0.0078 0.0307 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0934 0.788 0.788
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0088 0.0392 0.0392
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0049 0.0049 0.0049
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1355 0.1355
Leishmania major phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.0307
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0049 0.0049 0.0049
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0078 0.0307 0.7517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0103 0.0103
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0171 0.1127 0.1127
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0103 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.3113 0.3113
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1173 1 1
Mycobacterium leprae conserved hypothetical protein 0.0078 0.0307 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0224 0.1598 0.1598
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0395 0.3113 0.3113
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0395 0.3113 0.3113
Loa Loa (eye worm) hypothetical protein 0.0171 0.1129 0.1129
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0084 0.0358 0.0358
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.0307 0.0307
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0078 0.0307 0.0307
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1173 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0078 0.0307 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0224 0.1598 0.1598
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.0307 0.0418
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0873 0.7345 0.7345
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0078 0.0307 0.0307

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5858 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.1962 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 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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