Detailed information for compound 1224512

Basic information

Technical information
  • TDR Targets ID: 1224512
  • Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(3-et hoxypropyl)-1,4-diazepane-1-carbothioamide
  • MW: 425.59 | Formula: C23H31N5OS
  • H donors: 0 H acceptors: 2 LogP: 3.99 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCN=C(N1CCCN(CC1)c1nc2cc(C)cc(c2cc1C#N)C)S
  • InChi: 1S/C23H31N5OS/c1-4-29-12-5-7-25-23(30)28-9-6-8-27(10-11-28)22-19(16-24)15-20-18(3)13-17(2)14-21(20)26-22/h13-15H,4-12H2,1-3H3,(H,25,30)
  • InChiKey: GSGIICSDZMTKER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide
  • 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carbothioamide
  • SMR000286737
  • ASN 06537044
  • MLS000764932

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Loa Loa (eye worm) 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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 cruzi 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
Plasmodium yoelii putative AP endonuclease-related 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans N terminus of cytosolic NADP-specific 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi nuclear hormone receptor 0.0012 0.0041 0.0038
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0105 0.0102
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0139 0.0532
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0182 0.1629 0.1626
Echinococcus granulosus carboxylesterase 5A 0.1076 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0211 0.8186
Brugia malayi Carboxylesterase family protein 0.1076 1 1
Echinococcus granulosus snurportin 1 0.0352 0.3224 0.3222
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0139 0.0136
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0271 0.0268
Brugia malayi CXXC zinc finger family protein 0.0035 0.0251 0.0249
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0041 0.0038
Brugia malayi Carboxylesterase family protein 0.0182 0.1629 0.1626
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0041 0.0038
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0211 0.6436
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0041 0.0038
Schistosoma mansoni hypothetical protein 0.0352 0.3224 0.3222
Schistosoma mansoni gliotactin 0.0182 0.1629 0.1626
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0105 0.0029
Plasmodium vivax importin-beta 2, putative 0.0033 0.0235 0.7863
Echinococcus multilocularis muscleblind protein 1 0.0148 0.1308 0.1306
Echinococcus multilocularis para nitrobenzyl esterase 0.0182 0.1629 0.1626
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0389 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0041 0.0038
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0104 0.0101
Schistosoma mansoni hypothetical protein 0.0043 0.0333 0.0331
Brugia malayi Carboxylesterase family protein 0.0182 0.1629 0.1626
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0139 0.0136
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.061 0.0607
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0105 0.0102
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0182 0.1629 0.1626
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0105 0.0102
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0235 1
Brugia malayi steroid hormone receptor 0.0012 0.0041 0.0038
Brugia malayi hypothetical protein 0.003 0.0211 0.0209
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0041 0.0038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0041 0.0038
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0105 0.0121
Brugia malayi hypothetical protein 0.0182 0.1629 0.1626
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0139 0.0136
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0154 0.38
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0105 0.0099
Onchocerca volvulus 0.0182 0.1629 0.6176
Entamoeba histolytica Ran family GTPase 0.0024 0.0154 0.0756
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0235 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0041 0.0038
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0041 0.0038
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.002 0.0017
Brugia malayi hypothetical protein 0.0043 0.0333 0.0331
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0104 0.0101
Echinococcus granulosus neuroligin 0.0182 0.1629 0.1626
Schistosoma mansoni hypothetical protein 0.0038 0.0283 0.0281
Brugia malayi jmjC domain containing protein 0.0019 0.0104 0.0101
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0182 0.1629 0.6235
Echinococcus granulosus GPCR family 2 0.0038 0.0283 0.0281
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0041 0.0038
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0105 0.0102
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0389 0.0386
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0041 0.0038
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.061 0.0607
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0041 0.0038
Brugia malayi Muscleblind-like protein 0.0148 0.1308 0.1306
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0041 0.0038
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0139 0.328
Schistosoma mansoni cpg binding protein 0.0035 0.0251 0.0249
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0283 0.0281
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0041 0.0038
Echinococcus granulosus phd:f box containing protein 0.0019 0.0104 0.0101
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0139 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0182 0.1629 0.1626
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0271 0.0268
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0104 0.0101
Echinococcus granulosus cpg binding protein 0.0037 0.027 0.0267
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0104 0.0101
Onchocerca volvulus 0.0182 0.1629 0.6176
Brugia malayi hypothetical protein 0.002 0.011 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0041 0.0038
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.002 0.0017
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0104 0.0101
Schistosoma mansoni hypothetical protein 0.0014 0.0054 0.0052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0041 0.0038
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0235 0.0233
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0268
Toxoplasma gondii exonuclease III APE 0.0023 0.0139 0.0784
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.7729 0.7728
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0038 0.0283 0.0281
Brugia malayi Pre-SET motif family protein 0.0252 0.2287 0.2285
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0333 0.0331
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0041 0.0038
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0182 0.1629 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0041 0.0038
Echinococcus multilocularis muscleblind protein 0.0148 0.1308 0.1306
Schistosoma mansoni ap endonuclease 0.0023 0.0139 0.0136
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0591 0.0589
Brugia malayi jmjC domain containing protein 0.0019 0.0104 0.0101
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0182 0.1629 0.1626
Echinococcus multilocularis carboxylesterase 5A 0.1076 1 1
Brugia malayi hypothetical protein 0.0169 0.1509 0.1507
Loa Loa (eye worm) carboxylesterase 0.0182 0.1629 0.1626
Schistosoma mansoni cpg binding protein 0.0037 0.027 0.0267
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0139 0.0223
Schistosoma mansoni ran 0.0024 0.0154 0.0151
Brugia malayi nuclear receptor NHR-88 0.0012 0.0041 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.1054 0.1051
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0104 0.0101
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0352 0.3224 0.3222
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0271 0.0268
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0389 0.0386
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0104 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0041 0.0038
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0038 0.0283 0.0281
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0389 0.0386
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0105 0.0099
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0041 0.0038
Brugia malayi jmjC domain containing protein 0.0073 0.061 0.0607
Entamoeba histolytica hypothetical protein 0.0043 0.0333 1
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0104 0.0101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0038 0.0283 0.0281
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0041 0.0038
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1045 0.1043
Schistosoma mansoni acetylcholinesterase 0.0182 0.1629 0.1626
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0177 0.6791
Echinococcus multilocularis neuroligin 0.0182 0.1629 0.1626
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0104 0.0101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0105 0.0102
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.1054 0.1051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0389 0.0386
Onchocerca volvulus 0.0182 0.1629 0.6176
Brugia malayi jmjC domain containing protein 0.0019 0.0104 0.0101
Loa Loa (eye worm) hypothetical protein 0.0148 0.1308 0.1306
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1076 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0041 0.0038
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0041 0.0038
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0139 0.2685
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.1076 1 1
Brugia malayi jmjC domain containing protein 0.0071 0.0591 0.0589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0033 0.0235 0.0233
Brugia malayi Importin beta-1 subunit 0.0033 0.0235 0.0233
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0154 0.111
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0041 0.0038
Plasmodium vivax SET domain protein, putative 0.0037 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0154 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0041 0.0038
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.002 0.0017
Brugia malayi RNA, U transporter 1 0.0094 0.0805 0.0802
Schistosoma mansoni coup transcription factor 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Schistosoma mansoni hypothetical protein 0.0038 0.0283 0.0281
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0182 0.1629 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0105 0.0121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0105 0.0102
Entamoeba histolytica hypothetical protein 0.0043 0.0333 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0041 0.0038
Onchocerca volvulus 0.0182 0.1629 0.6176
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0038 0.0283 0.0281
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0271 0.0268
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0041 0.0038
Schistosoma mansoni hypothetical protein 0.0038 0.0283 0.0281
Schistosoma mansoni hypothetical protein 0.0082 0.0697 0.0695
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0041 0.0038
Mycobacterium ulcerans carboxylesterase, LipT 0.0182 0.1629 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0697 0.0695
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0211 0.8186
Leishmania major GTP-binding protein, putative 0.0024 0.0154 0.4643
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0041 0.0038
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0154 0.2988
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0154 0.38
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0177 0.0677
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0154 0.4643
Echinococcus granulosus muscleblind protein 0.0148 0.1308 0.1306
Echinococcus multilocularis acetylcholinesterase 0.1076 1 1
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0177 0.0677
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0271 0.0268
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0041 0.0038
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0591 0.0589
Brugia malayi MH2 domain containing protein 0.012 0.1045 0.1043
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0139 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0211 0.2391
Echinococcus multilocularis acetylcholinesterase 0.1076 1 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0182 0.1629 0.1626
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.2287 0.2285
Plasmodium falciparum importin beta, putative 0.0033 0.0235 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0104 0.0101
Schistosoma mansoni cpg binding protein 0.0037 0.027 0.0267
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0139 0.2111
Loa Loa (eye worm) hypothetical protein 0.012 0.1054 0.1051
Loa Loa (eye worm) acetylcholinesterase 1 0.1076 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0105 0.0102
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0139 0.0136
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Echinococcus granulosus microtubule associated protein 2 0.0833 0.7729 0.7728
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0041 0.0038
Schistosoma mansoni ran 0.0024 0.0154 0.0151
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0041 0.0038
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0591 0.0589
Entamoeba histolytica hypothetical protein 0.0043 0.0333 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0389 0.0386
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0041 0.0038
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0041 0.0038
Schistosoma mansoni importin beta-1 0.0033 0.0235 0.0233
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0211 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0139 0.0532
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2612 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0333 0.0331
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0038 0.0283 0.0281
Echinococcus multilocularis cpg binding protein 0.0037 0.027 0.0267
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0182 0.1629 0.1626
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0041 0.0038
Brugia malayi jmjC domain containing protein 0.0019 0.0104 0.0101
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0104 0.0101
Brugia malayi Pre-SET motif family protein 0.0037 0.0271 0.0268
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0104 0.0101
Loa Loa (eye worm) hypothetical protein 0.0012 0.0041 0.0038
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0154 0.0151
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0333 0.0331
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0041 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0271 0.0268
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0041 0.0038
Echinococcus multilocularis snurportin 1 0.0352 0.3224 0.3222
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0101
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0041 0.0038
Echinococcus granulosus acetylcholinesterase 0.1076 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0283 0.0281
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0139 0.328
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0105 0.0102
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0039 0.0037
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0104 0.0101
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0154 0.0151
Loa Loa (eye worm) carboxylesterase 0.0182 0.1629 0.1626
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0054 0.0052
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0154 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0041 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0101
Entamoeba histolytica hypothetical protein 0.0027 0.0177 0.1947
Brugia malayi Carboxylesterase family protein 0.0182 0.1629 0.1626
Echinococcus multilocularis GPCR, family 2 0.0038 0.0283 0.0281
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0041 0.0038
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0177 0.0677
Entamoeba histolytica hypothetical protein 0.0043 0.0333 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0105 0.0029
Onchocerca volvulus 0.0169 0.1509 0.5712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0148 0.1308 0.1306
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0271 0.0268
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0041 0.0038
Leishmania major hypothetical protein, conserved 0.003 0.0211 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0283 0.0281
Trichomonas vaginalis spcc417.12 protein, putative 0.0182 0.1629 0.6235
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0041 0.0038
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0139 0.2685
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0104 0.0101
Onchocerca volvulus 0.0182 0.1629 0.6176
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0235 0.2921
Loa Loa (eye worm) hypothetical protein 0.0082 0.0697 0.0695
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0105 0.0121
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0154 0.0151
Echinococcus granulosus acetylcholinesterase 0.1076 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.1054 0.1051
Echinococcus multilocularis BC026374 protein (S09 family) 0.0182 0.1629 0.1626
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0122 0.012
Loa Loa (eye worm) carboxylesterase 0.1076 1 1
Onchocerca volvulus 0.0287 0.2612 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Onchocerca volvulus 0.0035 0.0251 0.0819
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.003 0.0211 0.0209
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.002 0.0017
Schistosoma mansoni ap endonuclease 0.0023 0.0139 0.0136
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.7729 0.7728
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0389 0.0386
Trichomonas vaginalis ran, putative 0.0024 0.0154 0.0589
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0271 0.3715
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0251 0.0249
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0105 0.0102
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0041 0.0038
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0591 0.0589
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0122 0.012
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0211 0.8186
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0252 0.0249
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1045 0.1043
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0154 0.4643
Brugia malayi Carboxylesterase family protein 0.0182 0.1629 0.1626
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0041 0.0038
Leishmania major importin beta-1 subunit, putative 0.0027 0.0177 0.6791
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0211 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0041 0.0038
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0054 0.0052
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0041 0.0038
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0554 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0105 0.0102
Mycobacterium tuberculosis Carboxylesterase LipT 0.0182 0.1629 1
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0104 0.0101
Onchocerca volvulus 0.0037 0.0271 0.0896
Echinococcus granulosus para nitrobenzyl esterase 0.0182 0.1629 0.1626
Loa Loa (eye worm) hypothetical protein 0.0019 0.0104 0.0101
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0139 0.328
Echinococcus granulosus importin subunit beta 1 0.0033 0.0235 0.0233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0389 0.0386
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.061 0.0607
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.002 0.0017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0041 0.0038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0389 0.0386
Loa Loa (eye worm) hypothetical protein 0.0169 0.1509 0.1507
Echinococcus granulosus BC026374 protein S09 family 0.0182 0.1629 0.1626
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0628 0.0625
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0039 0.0037
Loa Loa (eye worm) hypothetical protein 0.1076 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0105 0.0099
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.061 0.0607
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0038 0.0035
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0105 0.0078
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0041 0.0038
Brugia malayi ecdysteroid receptor 0.0012 0.0041 0.0038
Loa Loa (eye worm) hypothetical protein 0.0182 0.1629 0.1626
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0041 0.0038
Schistosoma mansoni neuroligin 3 (S09 family) 0.0182 0.1629 0.1626
Schistosoma mansoni hypothetical protein 0.0038 0.0283 0.0281
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0039 0.0037

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3323 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) 3.9811 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.2213 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) 8.9125 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 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) 18.3564 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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 Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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 Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 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) 44.6684 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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 Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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.

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