Detailed information for compound 1387182

Basic information

Technical information
  • TDR Targets ID: 1387182
  • Name: 2-[[[4-(trifluoromethoxy)phenyl]amino]methyl] phenol
  • MW: 283.246 | Formula: C14H12F3NO2
  • H donors: 2 H acceptors: 1 LogP: 4.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccccc1CNc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C14H12F3NO2/c15-14(16,17)20-12-7-5-11(6-8-12)18-9-10-3-1-2-4-13(10)19/h1-8,18-19H,9H2
  • InChiKey: WIIYVZYUDQESBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02549257
  • JS-2044
  • 2-{[4-(trifluoromethoxy)anilino]methyl}benzenol
  • MLS000735983
  • SMR000338533

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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_132837 All targets in OG5_132837
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi RNA 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0134 0.0134
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0023 0.0028
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0057 0.0057
Brugia malayi Isocitrate dehydrogenase 0.0019 0.002 0.0001
Loa Loa (eye worm) hypothetical protein 0.0047 0.0312 0.0797
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0171 0.1602 0.4136
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0023 0.0009
Trichomonas vaginalis N-myristoyl transferase, putative 0.0254 0.2465 0.6389
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0387 0.3845 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0023 0.001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.002 0.002
Brugia malayi Pre-SET motif family protein 0.0209 0.1999 0.5174
Leishmania major N-myristoyl transferase, putative 0.0387 0.3845 1
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0171 0.1602 1
Trypanosoma brucei phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Echinococcus multilocularis zinc finger protein 0.002 0.0026 0.0026
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0446 0.0446
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Loa Loa (eye worm) glutaminase 0.0275 0.2681 0.6968
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8483 0.8483
Plasmodium vivax phosphoglycerate kinase, putative 0.0171 0.1602 0.4136
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0447 0.1118
Loa Loa (eye worm) glutaminase 2 0.0275 0.2681 0.6968
Mycobacterium ulcerans phosphoglycerate kinase 0.0171 0.1602 0.5939
Loa Loa (eye worm) hypothetical protein 0.0148 0.1359 0.3525
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Echinococcus granulosus GPCR family 2 0.0019 0.002 0.0023
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0171 0.1602 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0446 0.0526
Echinococcus granulosus dna polymerase eta 0.0045 0.029 0.0342
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0617 0.0617
Schistosoma mansoni N-myristoyltransferase 0.0387 0.3845 0.4532
Brugia malayi Phosphoglycerate kinase 0.0171 0.1602 0.4137
Echinococcus granulosus phosphoglycerate kinase 1 0.0171 0.1602 0.1888
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0447 0.1149
Brugia malayi N-myristoyltransferase 2 0.0387 0.3845 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.002 0.0001
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0134 0.0158
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0023 0.0044
Echinococcus multilocularis dna polymerase eta 0.0045 0.029 0.029
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0387 0.3845 0.4532
Leishmania major DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Plasmodium vivax SET domain protein, putative 0.003 0.0134 0.0298
Trypanosoma brucei N-myristoyltransferase 0.0387 0.3845 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8483 1
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0387 0.3845 1
Trypanosoma brucei unspecified product 0.0019 0.0023 0.0009
Echinococcus granulosus tar DNA binding protein 0.0076 0.0617 0.0727
Loa Loa (eye worm) hypothetical protein 0.0171 0.1602 0.4157
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.029 0.0706
Brugia malayi Pre-SET motif family protein 0.003 0.0134 0.0299
Schistosoma mansoni zinc finger protein 0.002 0.0026 0.0031
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0617 0.159
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0134 0.0158
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Loa Loa (eye worm) hypothetical protein 0.0045 0.029 0.0739
Loa Loa (eye worm) hypothetical protein 0.0071 0.0561 0.1446
Entamoeba histolytica phosphoglycerate kinase, putative 0.0171 0.1602 0.4131
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0151 0.0827
Echinococcus granulosus dna polymerase kappa 0.0019 0.0023 0.0028
Chlamydia trachomatis phosphoglycerate kinase 0.0171 0.1602 0.5
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0063 0.0475 0.119
Leishmania major DNA polymerase eta, putative 0.0032 0.0151 0.0342
Schistosoma mansoni phosphoglycerate kinase 0.0171 0.1602 0.1888
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0617 0.0727
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.002 0.002
Schistosoma mansoni glutaminase 0.0275 0.2681 0.316
Mycobacterium ulcerans glutaminase 0.0275 0.2681 1
Giardia lamblia Phosphoglycerate kinase 0.0171 0.1602 0.4131
Onchocerca volvulus Huntingtin homolog 0.0148 0.1359 0.5659
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8483 1
Trichomonas vaginalis glutaminase, putative 0.0275 0.2681 0.6955
Brugia malayi TAR-binding protein 0.0076 0.0617 0.1561
Trypanosoma brucei phosphoglycerate kinase 0.0171 0.1602 0.4136
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0171 0.1602 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Brugia malayi glutaminase DH11.1 0.0275 0.2681 0.6958
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0617 0.0727
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0617 0.0727
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0617 0.0727
Onchocerca volvulus Huntingtin homolog 0.0148 0.1359 0.5659
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0122 0.0144
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0617 0.0727
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0023
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0023 0.0023
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0023 0.0023
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0057 0.0068
Giardia lamblia CDC72 0.0387 0.3845 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0617 0.1561
Plasmodium falciparum phosphoglycerate kinase 0.0171 0.1602 0.4136
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0171 0.1602 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0171 0.1602 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0041 0.0249 0.0633
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0023
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0171 0.1602 0.4136
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.002 0.002
Loa Loa (eye worm) N-myristoyltransferase 2 0.0387 0.3845 1
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.029 0.0706
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.029 0.0707
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0387 0.3845 1
Trypanosoma brucei phosphoglycerate kinase 0.0063 0.0475 0.119
Leishmania major DNA polymerase eta, putative 0.0045 0.029 0.0706
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0023 0.0009
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0312 0.0368
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.002 0.002
Loa Loa (eye worm) RNA binding protein 0.0076 0.0617 0.159
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0171 0.1602 0.4131
Schistosoma mansoni bromodomain containing protein 0.0064 0.0484 0.057
Schistosoma mansoni hypothetical protein 0.0041 0.0249 0.0294
Echinococcus multilocularis GPCR, family 2 0.0019 0.002 0.002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0617 0.159
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0034
Schistosoma mansoni hypothetical protein 0.0021 0.0037 0.0044
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.002 0.0023
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0171 0.1602 0.4131
Loa Loa (eye worm) hypothetical protein 0.006 0.0447 0.1149
Loa Loa (eye worm) hypothetical protein 0.0041 0.0248 0.0629
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.002 0.0023
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.1999 0.519
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0197 0.0233
Leishmania major phosphoglycerate kinase C, glycosomal 0.0171 0.1602 0.4136
Trypanosoma cruzi N-myristoyl transferase, putative 0.0387 0.3845 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.002 0.002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.002 0.0023
Brugia malayi RNA binding protein 0.0076 0.0617 0.1561
Leishmania major phosphoglycerate kinase B, cytosolic 0.0171 0.1602 0.4136
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.002 0.0035
Brugia malayi hypothetical protein 0.0148 0.1359 0.3503
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.002 0.0023
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0447 0.1118
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0312 0.0368
Trichomonas vaginalis N-myristoyl transferase, putative 0.0387 0.3845 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0312 0.0368
Trypanosoma brucei N-myristoyl transferase, putative 0.0387 0.3845 1
Trichomonas vaginalis set domain proteins, putative 0.0238 0.2299 0.5956
Schistosoma mansoni DNA polymerase eta 0.0045 0.029 0.0342
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0057 0.0068
Brugia malayi Bromodomain containing protein 0.0039 0.0222 0.053
Treponema pallidum phosphoglycerate kinase 0.0171 0.1602 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0023 0.0028
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0023
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0023 0.0009
Loa Loa (eye worm) hypothetical protein 0.0148 0.1359 0.3525
Brugia malayi Bromodomain containing protein 0.0075 0.0606 0.1533
Schistosoma mansoni hypothetical protein 0.0019 0.002 0.0023
Loa Loa (eye worm) hypothetical protein 0.0039 0.0223 0.0564
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0023 0.0022
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Trypanosoma brucei phosphoglycerate kinase 0.0171 0.1602 0.4136
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0475 0.119
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.002 0.0034
Onchocerca volvulus 0.0238 0.2299 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Brugia malayi PHD-finger family protein 0.0025 0.0082 0.0164
Echinococcus multilocularis phosphoglycerate kinase 1 0.0171 0.1602 0.1602
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.002 0.002
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0249 0.0601
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0387 0.3845 0.3845
Echinococcus granulosus zinc finger protein 0.002 0.0026 0.0031
Loa Loa (eye worm) hypothetical protein 0.0043 0.0268 0.0681
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0023 0.0009
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0134 0.072
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0151 0.0342
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0023 0.0022
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0023 0.0009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0312 0.0312
Schistosoma mansoni phosphoglycerate kinase 0.0171 0.1602 0.1888
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0037 0.0081
Trypanosoma cruzi N-myristoyl transferase, putative 0.0387 0.3845 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0023 0.0028
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0197 0.0197
Brugia malayi Phosphoglycerate kinase 0.0063 0.0475 0.1191

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 27.543 uM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] ChEMBL. No reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.5774 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) 11.6891 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 15.8489 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 (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) 19.9526 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 25.1189 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) 26.8545 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (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
Homo sapiens 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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