Detailed information for compound 1413626

Basic information

Technical information
  • TDR Targets ID: 1413626
  • Name: 3-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-meth oxyphenyl)but-3-enoic acid
  • MW: 341.381 | Formula: C18H15NO4S
  • H donors: 2 H acceptors: 4 LogP: 4.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1O)/C=C(/c1nc2c(s1)cccc2)\CC(=O)O
  • InChi: 1S/C18H15NO4S/c1-23-15-7-6-11(9-14(15)20)8-12(10-17(21)22)18-19-13-4-2-3-5-16(13)24-18/h2-9,20H,10H2,1H3,(H,21,22)/b12-8+
  • InChiKey: QZQICDMSOGFHGN-XYOKQWHBSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxyphenyl)but-3-enoic acid
  • (E)-3-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxy-phenyl)but-3-enoic acid
  • 3-(1,3-benzothiazol-2-yl)-4-(3-hydroxy-4-methoxy-phenyl)but-3-enoic acid
  • T0517-4766
  • MLS000775760
  • SMR000369319

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Caenorhabditis elegans Protein GLD-1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi tumor suppressor. Get druggable targets OG5_170288 All targets in OG5_170288
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose 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
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) tumor suppressor Get druggable targets OG5_170288 All targets in OG5_170288
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium leprae Possible oxidoreductase 0.0057 0.0678 0.5
Leishmania major aldo-keto reductase-like protein 0.0057 0.0678 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0057 0.0678 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.384 0.4592
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7122 0.8462
Onchocerca volvulus 0.0057 0.0678 0.0837
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0057 0.0678 0.0678
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trypanosoma cruzi aldo-keto reductase 0.0057 0.0678 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0053 0.0114
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.009 0.0108
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0057 0.0678 0.0678
Trichomonas vaginalis aldo/keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.461 0.461
Entamoeba histolytica aldose reductase, putative 0.0057 0.0678 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0057 0.0678 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0057 0.0678 0.0464
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.009 0.0195
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0057 0.0678 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0057 0.0678 0.0678
Onchocerca volvulus 0.0057 0.0678 0.0837
Echinococcus multilocularis aldo keto reductase 0.0057 0.0678 0.1471
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.009 0.0195
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0678 0.0464
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.009 0.0195
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Echinococcus multilocularis voltage gated potassium channel subunit 0.0057 0.0678 0.1471
Echinococcus granulosus aldo keto reductase 0.0057 0.0678 0.1471
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Onchocerca volvulus 0.0114 0.2277 0.311
Trypanosoma brucei aldo-keto reductase, putative 0.0057 0.0678 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0304 0.0659
Echinococcus multilocularis aldo keto reductase 0.0057 0.0678 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Loa Loa (eye worm) oxidoreductase 0.0057 0.0678 0.0678
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.009 0.0108
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0057 0.0678 0.0464
Onchocerca volvulus 0.0286 0.7122 1
Plasmodium falciparum aldehyde reductase, putative 0.0057 0.0678 0.5
Mycobacterium ulcerans glutaminase 0.033 0.8362 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis glutaminase, putative 0.033 0.8362 1
Brugia malayi NADH-dependent xylose reductase 0.0057 0.0678 0.0678
Schistosoma mansoni alpha glucosidase 0.0044 0.0304 0.0364
Brugia malayi Pre-SET motif family protein 0.0251 0.6146 0.6145
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0304 0.0304
Brugia malayi Pre-SET motif family protein 0.0036 0.009 0.009
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Loa Loa (eye worm) tumor suppressor 0.0388 1 1
Onchocerca volvulus 0.0057 0.0678 0.0837
Entamoeba histolytica alcohol dehydrogenase, putative 0.0057 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.009 0.009
Trichomonas vaginalis aldo/keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0304 0.0659
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus aldo keto reductase 0.0057 0.0678 0.1471
Echinococcus multilocularis aldo keto reductase 0.0057 0.0678 0.1471
Trypanosoma cruzi aldo/keto reductase, putative 0.0057 0.0678 1
Loa Loa (eye worm) oxidoreductase 0.0057 0.0678 0.0678
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6146 0.6145
Onchocerca volvulus 0.0057 0.0678 0.0837
Loa Loa (eye worm) oxidoreductase 0.0057 0.0678 0.0678
Mycobacterium tuberculosis Conserved protein 0.0057 0.0678 0.5
Echinococcus granulosus aldo keto reductase 0.0057 0.0678 0.1471
Trypanosoma brucei aldo/keto reductase, putative 0.0057 0.0678 1
Schistosoma mansoni aldo-keto reductase 0.0057 0.0678 0.0811
Trichomonas vaginalis aldo/keto reductase, putative 0.0057 0.0678 0.0464
Loa Loa (eye worm) oxidoreductase 0.0057 0.0678 0.0678
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0057 0.0678 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0057 0.0678 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0057 0.0678 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0057 0.0678 1
Loa Loa (eye worm) glutaminase 0.033 0.8362 0.8362
Giardia lamblia Aldose reductase 0.0057 0.0678 0.5
Trypanosoma brucei prostaglandin f synthase 0.0057 0.0678 1
Leishmania major prostaglandin f synthase, putative 0.0057 0.0678 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Schistosoma mansoni glutaminase 0.033 0.8362 1
Loa Loa (eye worm) oxidoreductase 0.0057 0.0678 0.0678
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.009 0.0108
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.461 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.461 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.009 0.0108
Schistosoma mansoni pol-related 0.0057 0.0678 0.0811
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Entamoeba histolytica aldose reductase, putative 0.0057 0.0678 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Schistosoma mansoni alpha-glucosidase 0.0169 0.384 0.4592
Onchocerca volvulus 0.0057 0.0678 0.0837
Echinococcus multilocularis aldo keto reductase 0.0057 0.0678 0.1471
Toxoplasma gondii aldo-keto reductase 0.0057 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0678 0.0678
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0304 0.3638
Echinococcus granulosus hypothetical protein 0.0057 0.0678 0.1471
Entamoeba histolytica alcohol dehydrogenase, putative 0.0057 0.0678 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0304 0.0304
Giardia lamblia Aldose reductase 0.0057 0.0678 0.5
Plasmodium falciparum aldo-keto reductase, putative 0.0057 0.0678 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0057 0.0678 0.0464
Schistosoma mansoni aldo-keto reductase 0.0057 0.0678 0.0811
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0057 0.0678 0.0678
Entamoeba histolytica aldose reductase, putative 0.0057 0.0678 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Toxoplasma gondii aldose reductase, putative 0.0057 0.0678 1
Brugia malayi glutaminase DH11.1 0.033 0.8362 0.8362
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.461 1
Onchocerca volvulus 0.0057 0.0678 0.0837
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0057 0.0678 0.1471
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0057 0.0678 0.0678
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0057 0.0678 0.0678
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0057 0.0678 0.1471
Onchocerca volvulus 0.0057 0.0678 0.0837
Schistosoma mansoni potassium channel beta 0.0057 0.0678 0.0811
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.461 0.461
Plasmodium vivax aldehyde reductase, putative 0.0057 0.0678 1
Loa Loa (eye worm) glutaminase 2 0.033 0.8362 0.8362
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0057 0.0678 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0057 0.0678 0.0464
Echinococcus granulosus voltage gated potassium channel subunit 0.0057 0.0678 0.1471
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0057 0.0678 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.427 uM PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of GLD-1 protein - TGE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2280, AID2290, AID2459] ChEMBL. No reference
IC50 (binding) > 75.365 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of the HIV Rev protein-RRE RNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2290 (Summary (gld-1 inhibitors)), 2280 (Primary screen (gld-1 inhibitors in singlicate))] ChEMBL. No reference
Potency (functional) 0.1122 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) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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) = 17.647 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.