Detailed information for compound 1329848

Basic information

Technical information
  • TDR Targets ID: 1329848
  • Name: 7-ethoxy-2-(4-methoxyphenyl)-2-(trifluorometh yl)-3H-1,3-benzoxazin-4-one
  • MW: 367.319 | Formula: C18H16F3NO4
  • H donors: 1 H acceptors: 1 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)OC(NC2=O)(c1ccc(cc1)OC)C(F)(F)F
  • InChi: 1S/C18H16F3NO4/c1-3-25-13-8-9-14-15(10-13)26-17(18(19,20)21,22-16(14)23)11-4-6-12(24-2)7-5-11/h4-10H,3H2,1-2H3,(H,22,23)
  • InChiKey: UGUBRTLAIXQRLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T5658885
  • MLS000389062
  • SMR000255236

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi 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
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 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
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 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
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense isocitrate dehydrogenase, 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) isocitrate dehydrogenase 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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni chromobox protein 0.0081 0.1574 0.1593
Loa Loa (eye worm) hypothetical protein 0.0035 0.0408 0.0285
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0814 0.0757
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1103 0.1087
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0814 0.0757
Brugia malayi hypothetical protein 0.0182 0.4192 0.5564
Brugia malayi Importin beta-1 subunit 0.0035 0.0391 0.0518
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0391 0.2769
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0333 0.02
Echinococcus granulosus importin subunit beta 1 0.0035 0.0391 0.024
Echinococcus multilocularis sterol regulatory element binding protein 0.0129 0.2804 0.2692
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.3938 0.4335
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0278 0.5234
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0391 0.0271
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0312 0.7535 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0147 0.3266 1
Echinococcus multilocularis snurportin 1 0.0372 0.9065 0.905
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0312 0.7535 0.7496
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0597 0.9648
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0814 0.0757
Schistosoma mansoni chromobox protein 0.0081 0.1574 0.1593
Schistosoma mansoni inositol monophosphatase 0.0043 0.0597 0.0497
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0597 0.1422
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0278 0.0142
Loa Loa (eye worm) hypothetical protein 0.006 0.1032 0.0985
Schistosoma mansoni hypothetical protein 0.0372 0.9065 1
Schistosoma mansoni importin beta-1 0.0035 0.0391 0.0266
Loa Loa (eye worm) hypothetical protein 0.006 0.1044 0.0999
Schistosoma mansoni patched 1 0.0129 0.2804 0.2974
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0221 0.0077
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0312 0.7535 0.8454
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0278 0.5234
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0312 0.7535 0.8454
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0333 0.0441
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0049 0.0748 0.1077
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8884 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0859 0.0717
Echinococcus multilocularis chromobox protein 1 0.0081 0.1574 0.1442
Brugia malayi RNA, U transporter 1 0.0099 0.2044 0.2712
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0278 0.5234
Schistosoma mansoni hypothetical protein 0.0205 0.4763 0.5172
Echinococcus multilocularis geminin 0.0205 0.4763 0.4681
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0859 0.0717
Entamoeba histolytica hypothetical protein 0.0043 0.0613 1
Entamoeba histolytica hypothetical protein 0.0028 0.0221 0.1464
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0312 0.7535 0.8454
Loa Loa (eye worm) hypothetical protein 0.0182 0.4192 0.4532
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0319 0.0532
Leishmania major importin beta-1 subunit, putative 0.0028 0.0221 0.0077
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3938 0.4335
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0597 0.0507
Entamoeba histolytica hypothetical protein 0.0043 0.0613 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0597 0.1422
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0613 0.0466
Schistosoma mansoni hypothetical protein 0.0041 0.0554 0.0449
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0129 0.2804 0.2974
Plasmodium vivax importin-beta 2, putative 0.0035 0.0391 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0278 0.0142
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.3938 0.4335
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.5763 0.6294
Onchocerca volvulus 0.0035 0.0408 0.0195
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0613 0.0466
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0312 0.7535 0.7496
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0147 0.3266 1
Echinococcus multilocularis protein dispatched 1 0.0129 0.2804 0.2692
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0597 0.045
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0391 0.0271
Loa Loa (eye worm) hypothetical protein 0.0041 0.0554 0.0449
Echinococcus granulosus lamin 0.0033 0.0333 0.0181
Schistosoma mansoni inositol monophosphatase 0.0043 0.0597 0.0497
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0597 0.0507
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0147 0.3266 1
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.066 0.1625
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0859 0.0717
Brugia malayi hypothetical protein 0.0043 0.0613 0.0813
Mycobacterium ulcerans hypothetical protein 0.0192 0.444 0.554
Schistosoma mansoni lamin 0.0033 0.0333 0.02
Echinococcus multilocularis musashi 0.0033 0.0333 0.0181
Echinococcus multilocularis lamin dm0 0.0033 0.0333 0.0181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1044 0.0999
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0859 0.0792
Loa Loa (eye worm) heterochromatin protein 1 0.0081 0.1574 0.1593
Entamoeba histolytica hypothetical protein 0.0043 0.0613 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0317 0.0183
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0597 0.0507
Echinococcus multilocularis chromobox protein 1 0.0081 0.1574 0.1442
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0278 0.1449
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0554 0.0735
Echinococcus multilocularis Niemann Pick C1 protein 0.0129 0.2804 0.2692
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0221 0.0216
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.444 1
Schistosoma mansoni hypothetical protein 0.0205 0.4763 0.5172
Echinococcus granulosus chromobox protein 1 0.0081 0.1574 0.1442
Echinococcus multilocularis protein patched 0.0129 0.2804 0.2692
Toxoplasma gondii hypothetical protein 0.0059 0.1009 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.8884 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0859 0.0792
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0481 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0814 0.0757
Echinococcus granulosus geminin 0.0205 0.4763 0.4681
Entamoeba histolytica hypothetical protein 0.0043 0.0613 1
Echinococcus multilocularis lamin 0.0033 0.0333 0.0181
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0312 0.7535 1
Leishmania major hypothetical protein, conserved 0.003 0.0278 0.0142
Echinococcus granulosus snurportin 1 0.0372 0.9065 0.905
Echinococcus granulosus chromobox protein 1 0.0081 0.1574 0.1442
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0319 0.0532
Echinococcus granulosus Protein patched homolog 1 0.0129 0.2804 0.2692
Brugia malayi chromobox protein homolog 3 0.0045 0.066 0.0876
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0221 0.0216
Brugia malayi Heterochromatin protein 1 0.0081 0.1574 0.2088
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.8884 1
Brugia malayi follicle stimulating hormone receptor 0.0243 0.5763 0.7648
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0312 0.7535 0.8283
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0154 0.0204
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.066 0.0848
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0859 0.0717
Loa Loa (eye worm) hypothetical protein 0.0033 0.0333 0.02
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1044 0.1386
Loa Loa (eye worm) hypothetical protein 0.0129 0.2804 0.2974
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0333 0.02
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0597 0.5
Loa Loa (eye worm) hypothetical protein 0.0312 0.7535 0.8283
Echinococcus granulosus intermediate filament protein 0.0033 0.0333 0.0181
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0221 0.0216
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0597 0.0507
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1044 0.1386
Loa Loa (eye worm) hypothetical protein 0.0045 0.066 0.0568
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0391 0.024
Loa Loa (eye worm) inositol-1 0.0043 0.0597 0.0497
Schistosoma mansoni lamin 0.0033 0.0333 0.02
Echinococcus granulosus lamin dm0 0.0033 0.0333 0.0181
Brugia malayi Inositol-1 0.0043 0.0597 0.0792
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0859 0.0792
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0278 0.0142
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0597 0.5179
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0748 0.191
Trichomonas vaginalis chromobox protein, putative 0.0081 0.1574 0.4562
Trichomonas vaginalis chromobox protein, putative 0.0081 0.1574 0.4562
Schistosoma mansoni intermediate filament proteins 0.0033 0.0333 0.02
Loa Loa (eye worm) hypothetical protein 0.0035 0.0391 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.2804 0.8516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0859 0.0792
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0613 0.0515
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0147 0.3266 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.9065 1
Echinococcus granulosus sterol regulatory element binding protein 0.0129 0.2804 0.2692
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0312 0.7535 0.8454
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.066 0.1625
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0859 0.1141
Trichomonas vaginalis chromobox protein, putative 0.0049 0.0748 0.191
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0597 0.045
Echinococcus granulosus Niemann Pick C1 protein 0.0129 0.2804 0.2692
Onchocerca volvulus 0.006 0.1032 0.1812
Schistosoma mansoni hypothetical protein 0.0043 0.0613 0.0515
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1032 0.0985
Brugia malayi CHE-14 protein 0.0129 0.2804 0.3722
Brugia malayi intermediate filament protein 0.0033 0.0333 0.0441
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.8884 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0597 0.1422
Onchocerca volvulus 0.0182 0.4192 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0278 0.0139
Plasmodium falciparum importin beta, putative 0.0035 0.0391 1
Brugia malayi hypothetical protein 0.003 0.0278 0.0369
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0129 0.2804 0.2974

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.3109 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) 2.3109 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) 2.5119 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 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) 6.5131 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) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 14.581 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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