Detailed information for compound 1425828

Basic information

Technical information
  • TDR Targets ID: 1425828
  • Name: 1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-am ine
  • MW: 287.744 | Formula: C15H14ClN3O
  • H donors: 1 H acceptors: 1 LogP: 3.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1OCCn1c(N)nc2c1cccc2
  • InChi: 1S/C15H14ClN3O/c16-11-5-1-4-8-14(11)20-10-9-19-13-7-3-2-6-12(13)18-15(19)17/h1-8H,9-10H2,(H2,17,18)
  • InChiKey: UPDYFODQZAARMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolamine
  • [1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]amine
  • Oprea1_062832
  • 1-[2-(2-Chloro-phenoxy)-ethyl]-1H-benzoimidazol-2-ylamine
  • BAS 01044661
  • MLS000108589
  • SMR000104543
  • Oprea1_203119
  • STK052436
  • ZINC00274952

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense isocitrate dehydrogenase, 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
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis NADP dependent 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
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) isocitrate dehydrogenase 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
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 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 histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.6767 0.6767
Brugia malayi TAR-binding protein 0.0074 0.3206 0.3789
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3206 0.3206
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0603 0.0603
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2494 0.2948
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.042
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0039 0.137 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0603 0.1683
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0603 0.0603
Brugia malayi MH2 domain containing protein 0.0144 0.6858 0.8105
Schistosoma mansoni hypothetical protein 0.0205 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3046 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.1605 0.464
Echinococcus multilocularis GPCR, family 2 0.0019 0.0356 0.0356
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0603 0.0713
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0356 0.042
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.1605 0.1605
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.3206 0.3789
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0603 0.0603
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3206 0.3206
Brugia malayi RNA binding protein 0.0074 0.3206 0.3789
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3046 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.8462 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.3046 0.3046
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2494 0.2948
Schistosoma mansoni lipoxygenase 0.0142 0.6767 0.6767
Echinococcus granulosus GPCR family 2 0.0019 0.0356 0.0356
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.3046 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2041 0.2041
Brugia malayi Inositol-1 0.0043 0.1605 0.1897
Schistosoma mansoni inositol monophosphatase 0.0043 0.1605 0.1605
Loa Loa (eye worm) inositol-1 0.0043 0.1605 0.1897
Schistosoma mansoni polycystin 1-related 0.0024 0.0603 0.0603
Echinococcus granulosus RUN 0.0024 0.0603 0.0603
Schistosoma mansoni lipoxygenase 0.01 0.454 0.454
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0357 0.0357
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2041 1
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Schistosoma mansoni hypothetical protein 0.0041 0.1504 0.1504
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0357 0.0357
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Brugia malayi hypothetical protein 0.0024 0.0603 0.0713
Onchocerca volvulus 0.0024 0.0603 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.3046 1
Echinococcus granulosus tar DNA binding protein 0.0074 0.3206 0.3206
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3206 0.3206
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0357 0.0422
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.8462 0.8462
Brugia malayi Doublecortin family protein 0.0024 0.0603 0.0713
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3206 0.3206
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6858 0.8105
Loa Loa (eye worm) TAR-binding protein 0.0074 0.3206 0.3789
Loa Loa (eye worm) RNA binding protein 0.0074 0.3206 0.3789
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.1605 0.1605
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.8462 0.8462
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1818 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0603 0.0713
Schistosoma mansoni loxhd1 0.0024 0.0603 0.0603
Schistosoma mansoni rab6-interacting 0.0024 0.0603 0.0603
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1818 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1605 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.6767 0.6767
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.1605 0.5
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0356 0.0356
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0356 0.0356
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.3046 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2041 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2494 0.2948
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0357 0.0422
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0603 0.0603
Schistosoma mansoni tar DNA-binding protein 0.0074 0.3206 0.3206
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1605 0.464
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.3046 0.3046
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1605 1
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni hypothetical protein 0.0024 0.0603 0.0603
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0356 0.042
Onchocerca volvulus 0.0024 0.0603 1
Echinococcus multilocularis tar DNA binding protein 0.0074 0.3206 0.3206
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0356 0.0356
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.3046 0.3046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2494 0.2948
Brugia malayi isocitrate dehydrogenase 0.0019 0.0357 0.0422
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.1605 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0603 0.0603
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0357 0.0357
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0357 0.0357
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1818 1
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0356 0.0356
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.8207 0.8207
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.3046 0.3046
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1504 0.1778
Schistosoma mansoni inositol monophosphatase 0.0043 0.1605 0.1605
Echinococcus multilocularis RUN 0.0024 0.0603 0.0603
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0356 0.042
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0357 0.0357
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2041 0.626
Loa Loa (eye worm) hypothetical protein 0.0041 0.1504 0.1778
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.3206 0.3789
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0357 0.0357
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0603 0.0603
Schistosoma mansoni rab6-interacting 0.0024 0.0603 0.0603
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2041 0.626
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0039 0.137 0.3767
Loa Loa (eye worm) hypothetical protein 0.0024 0.0603 0.0713
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0603 0.146
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6858 0.8105
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2041 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.8462 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.3046 1
Brugia malayi hypothetical protein 0.0024 0.0603 0.0713
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0357 0.0357

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) 18.3564 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) 18.526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 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) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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