Detailed information for compound 1279391

Basic information

Technical information
  • TDR Targets ID: 1279391
  • Name: 3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5- carboxylic acid
  • MW: 209.174 | Formula: C10H8FNO3
  • H donors: 1 H acceptors: 2 LogP: 1.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1ON=C(C1)c1ccc(cc1)F
  • InChi: 1S/C10H8FNO3/c11-7-3-1-6(2-4-7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
  • InChiKey: PBZBMHSUDXPYCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
  • TimTec1_008157
  • SBB007287
  • 3-(4-Fluoro-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid
  • BAS 10826992
  • MLS000067264
  • SMR000124761

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apoptotic peptidase activating factor 1 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens adrenergic, beta, receptor kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Loa Loa (eye worm) AGC/GRK/BARK protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131467 All targets in OG5_131467
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis beta adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus beta-adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma japonicum ko:K00924 G-protein-coupled Receptor Kinase [EC:2.7.1.-], putative Get druggable targets OG5_131467 All targets in OG5_131467
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum G protein-coupled receptor kinase 1, putative Get druggable targets OG5_131467 All targets in OG5_131467
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0088 0.0153
Trypanosoma cruzi target of rapamycin kinase 3 0.0348 0.1893 0.4791
Loa Loa (eye worm) hypothetical protein 0.0535 0.3005 1
Schistosoma mansoni hypothetical protein 0.0037 0.0043 0.0033
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0067 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0907 0.2947
Brugia malayi Pre-SET motif family protein 0.0036 0.0036 0.0093
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0079 0.0052
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0067 0.022 0.0253
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0848 0.1958
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0067 0.022 0.0253
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.022 0.0636
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.022 0.019
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.022 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0067 0.022 0.1015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0348 0.1893 0.4963
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0196 0.0989 0.0962
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0067 0.022 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0067 0.022 0.1015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.022 0.0192
Loa Loa (eye worm) hypothetical protein 0.0052 0.0127 0.0326
Brugia malayi hypothetical protein 0.0535 0.3005 0.7879
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0219 0.1123 0.5866
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0067 0.022 0.05
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0348 0.1893 0.4791
Echinococcus granulosus serine protein kinase ATM 0.029 0.1549 0.1525
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0067 0.022 0.0576
Onchocerca volvulus 0.0182 0.0907 0.2947
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0067 0.022 0.0253
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0348 0.1893 0.4826
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0348 0.1893 0.187
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.022 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0193 0.0181
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0348 0.1893 0.1868
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1317 0.4325
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.1123 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.025 0.022
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.029 0.1549 0.3857
Loa Loa (eye worm) hypothetical protein 0.0037 0.0043 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0591 0.1782
Toxoplasma gondii hypothetical protein 0.0059 0.0171 0.0755
Brugia malayi FAT domain containing protein 0.0152 0.0724 0.1899
Loa Loa (eye worm) hypothetical protein 0.0049 0.0114 0.028
Plasmodium vivax hypothetical protein 0.0067 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0043 0.0042
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0067 0.022 0.019
Echinococcus granulosus apoptotic protease activating factor 1 0.0037 0.0043 0.0016
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0152 0.0724 0.0699
Loa Loa (eye worm) hypothetical protein 0.0046 0.0097 0.0223
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0196 0.0989 0.2595
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.1549 0.638
Plasmodium vivax SET domain protein, putative 0.0036 0.0036 0.0265
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0671 0.3814 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0037 0.0043 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Brugia malayi jmjC domain containing protein 0.0115 0.0507 0.133
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0671 0.3814 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.022 0.1015
Echinococcus multilocularis peregrin 0.0038 0.0048 0.0017
Loa Loa (eye worm) phosphatidylinositol kinase 0.0067 0.022 0.0636
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.022 0.1015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0067 0.022 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.022 0.0636
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0067 0.022 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0265 0.1399 0.5663
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0348 0.1893 0.4791
Leishmania major phosphatidylinositol 3-kinase, putative 0.0348 0.1893 0.4826
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0112 0.0487 0.1534
Echinococcus multilocularis serine protein kinase ATM 0.029 0.1549 0.1523
Loa Loa (eye worm) hypothetical protein 0.0067 0.022 0.0636
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0067 0.022 0.0253
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0671 0.3814 0.3796
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0067 0.022 0.0253
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.0487 0.1206
Loa Loa (eye worm) hypothetical protein 0.0069 0.0231 0.0673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.022 0.0636
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0348 0.1893 0.8117
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0152 0.0724 0.0696
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0036 0.0027
Brugia malayi Cell death protein 3 precursor 0.0037 0.0043 0.0113
Brugia malayi PHD-finger family protein 0.0035 0.003 0.008
Onchocerca volvulus 0.0067 0.022 0.0636
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.1992 0.5111
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0067 0.022 0.0253
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0067 0.022 0.0192
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0067 0.022 0.0192
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0161 0.0779 0.1769
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0158 0.0131
Loa Loa (eye worm) hypothetical protein 0.0069 0.0231 0.0673
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.022 0.1015
Brugia malayi Pre-SET motif family protein 0.0251 0.1317 0.3453
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.022 0.1015
Toxoplasma gondii target of rapamycin (TOR), putative 0.0348 0.1893 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.1123 0.3673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0129 0.0591 0.1782
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0075 0.0044
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0036 0.0005
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.022 0.0636
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0348 0.1893 0.8117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus multilocularis Zinc finger, PHD finger 0.0067 0.022 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0067 0.022 0.0192
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0417 0.2303 0.6008
Echinococcus granulosus beta-adrenergic receptor kinase 0.0112 0.0487 0.046
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.0487 0.1206
Trichomonas vaginalis conserved hypothetical protein 0.0152 0.0724 0.2423
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0067 0.022 0.05
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.171 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0079 0.0049
Onchocerca volvulus 0.0037 0.0043 0.0042
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0158 0.0337
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.1992 0.8572
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.029 0.1549 0.4061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0067 0.022 1
Brugia malayi Bromodomain containing protein 0.0091 0.036 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.1123 0.458
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0067 0.022 0.0253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0417 0.2303 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0276 0.0648
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Plasmodium vivax hypothetical protein, conserved 0.0067 0.022 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1992 0.5059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0158 0.0337
Loa Loa (eye worm) hypothetical protein 0.0223 0.115 0.3764
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0036 0.0013
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.003 0.0003
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0348 0.1893 0.8117
Giardia lamblia Hypothetical protein 0.0067 0.022 0.1015
Loa Loa (eye worm) hypothetical protein 0.0152 0.0724 0.2333
Loa Loa (eye worm) runx1 0.0067 0.022 0.0638
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0507 0.0478
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0067 0.022 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0036 0.0013
Loa Loa (eye worm) hypothetical protein 0.0535 0.3005 1
Trypanosoma cruzi hypothetical protein, conserved 0.0583 0.3288 0.8575
Loa Loa (eye worm) hypothetical protein 0.006 0.018 0.0503
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0067 0.022 1
Leishmania major hypothetical protein, conserved 0.0649 0.3687 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0067 0.022 0.1015
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0067 0.022 0.05
Onchocerca volvulus 0.0286 0.1524 0.502
Onchocerca volvulus 0.0067 0.022 0.0636
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0067 0.022 0.0429
Echinococcus multilocularis 0.0067 0.022 0.019
Mycobacterium ulcerans hypothetical protein 0.0192 0.0964 0.5
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.022 0.05
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0067 0.022 0.0192
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0158 0.0128
Schistosoma mansoni hypothetical protein 0.0067 0.022 0.05
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0088 0.0153
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Loa Loa (eye worm) hypothetical protein 0.0085 0.0329 0.1005
Onchocerca volvulus 0.0535 0.3005 1
Schistosoma mansoni caspase-7 (C14 family) 0.0037 0.0043 0.0033
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0348 0.1893 1
Echinococcus granulosus G protein coupled receptor kinase 1 0.01 0.0418 0.0391
Loa Loa (eye worm) hypothetical protein 0.0067 0.022 0.0636
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0671 0.3814 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.022 0.05
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Onchocerca volvulus 0.0036 0.0036 0.0017
Mycobacterium leprae conserved hypothetical protein 0.0067 0.022 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0348 0.1893 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0366 0.0887
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.029 0.1549 0.4013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0196 0.0989 0.2341
Toxoplasma gondii FATC domain-containing protein 0.029 0.1549 0.8151
Onchocerca volvulus Cell death protein 3 homolog 0.0037 0.0043 0.0042
Schistosoma mansoni hypothetical protein 0.0152 0.0724 0.1834
Schistosoma mansoni lozenge 0.0067 0.022 0.0502
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Loa Loa (eye worm) hypothetical protein 0.0057 0.0158 0.0429
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.022 0.0192
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.1992 0.5059
Trichomonas vaginalis conserved hypothetical protein 0.0219 0.1123 0.4337
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0067 0.022 0.019
Entamoeba histolytica hypothetical protein 0.029 0.1549 0.7942
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0348 0.1893 0.4923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Entamoeba histolytica protein kinase rad3, putative 0.0196 0.0989 0.4601
Echinococcus multilocularis Protein lozenge 0.0067 0.022 0.019
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0067 0.022 0.05
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.0848 0.3318
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0254 0.075
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0348 0.1893 0.4826
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.025 0.0223
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0671 0.3814 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0067 0.022 0.0429
Loa Loa (eye worm) phosphatidylinositol 3 0.0067 0.022 0.0636
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0067 0.022 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0113 0.0085
Loa Loa (eye worm) phosphatidylinositol 3 0.0417 0.2303 0.764
Schistosoma mansoni fkbp-rapamycin associated protein 0.0196 0.0989 0.2535
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0067 0.022 0.0636
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.0989 0.3696
Loa Loa (eye worm) phosphatidylinositol 3 0.0348 0.1893 0.6262
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.0848 0.1813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0113 0.0082
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0067 0.022 0.0253
Echinococcus multilocularis G protein coupled receptor kinase 1 0.01 0.0418 0.0389
Brugia malayi Bromodomain containing protein 0.0046 0.0096 0.0252
Loa Loa (eye worm) hypothetical protein 0.0196 0.0989 0.3224
Leishmania major phosphatidylinositol kinase related protein, putative 0.0161 0.0779 0.1613
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0067 0.022 0.05
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0348 0.1893 0.4826
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.0964 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0223 0.115 0.2776
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0417 0.2303 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Echinococcus granulosus peregrin 0.0038 0.0048 0.002
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0067 0.022 0.0429
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0088 0.0061
Giardia lamblia Phosphatidylinositol 4-kinase 0.0067 0.022 0.1015
Echinococcus multilocularis caspase 2 0.0037 0.0043 0.0013
Brugia malayi hypothetical protein 0.0182 0.0907 0.2379
Echinococcus multilocularis beta adrenergic receptor kinase 0.0112 0.0487 0.0458
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0067 0.022 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0196 0.0989 0.0965
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.029 0.1549 0.6535
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0088 0.0194
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0671 0.3814 0.3795
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0265 0.1399 0.705
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0067 0.022 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0348 0.1893 0.8033
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0348 0.1893 0.8117
Brugia malayi jmjC domain containing protein 0.0045 0.0088 0.0232
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1524 0.626
Brugia malayi hypothetical protein 0.0037 0.0043 0.0113
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0067 0.022 0.019
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0507 0.0481
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0067 0.022 0.0192
Echinococcus granulosus caspase 2 0.0037 0.0043 0.0015
Brugia malayi Bromodomain containing protein 0.0038 0.0048 0.0125
Giardia lamblia GTOR 0.0348 0.1893 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.45 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS Activators of the Apaf-1 Pathway in Fluorescent format. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489031, AID492946] ChEMBL. No reference
EC50 (binding) = 1.54 uM PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, Powder Set1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488855] ChEMBL. No reference
EC50 (functional) = 3.86 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay - set 2. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) = 6.39 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay - set 2. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) = 6.69 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay - set 2. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of Activators of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489031, AID492946] ChEMBL. No reference
IC50 (functional) = 10.9 uM PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493012, AID493028] ChEMBL. No reference
Potency (binding) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) 50.1187 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) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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