Detailed information for compound 1308659

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.331 | Formula: C18H16N2O4
  • H donors: 2 H acceptors: 2 LogP: 2.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)O)c1[nH]ncc1c1ccc2c(c1)OCCO2
  • InChi: 1S/C18H16N2O4/c1-22-12-3-4-13(15(21)9-12)18-14(10-19-20-18)11-2-5-16-17(8-11)24-7-6-23-16/h2-5,8-10,21H,6-7H2,1H3,(H,19,20)
  • InChiKey: DIBJHQYMNIPBOP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens CDC-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Dual specificity tyrosine-phosphorylation-regulated kinase 1A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references
Mus musculus heat shock factor 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Serine/threonine-protein kinase Doa, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium berghei serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Candida albicans similar to S. cerevisiae Heat Shock Factor HSF1 (YGL073W) RNA Pol II transcriptional activator Get druggable targets OG5_129203 All targets in OG5_129203
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129203 All targets in OG5_129203
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania mexicana protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva serine/threonine protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Onchocerca volvulus Heat shock factor protein 2 homolog Get druggable targets OG5_129203 All targets in OG5_129203
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi HSF-type DNA-binding domain containing protein Get druggable targets OG5_129203 All targets in OG5_129203
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative Get druggable targets OG5_126990 All targets in OG5_126990
Entamoeba histolytica heat shock transcription factor, putative Get druggable targets OG5_129203 All targets in OG5_129203
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity protein kinase clk2 Get druggable targets OG5_126990 All targets in OG5_126990
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0076 0.4457 0.6434
Loa Loa (eye worm) hypothetical protein 0.0024 0.0369 0.0369
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0884 0.1332
Loa Loa (eye worm) hypothetical protein 0.0041 0.1715 0.1715
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3193 0.3193
Loa Loa (eye worm) hypothetical protein 0.0033 0.1049 0.1049
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0369 0.0369
Schistosoma mansoni hypothetical protein 0.0041 0.1715 0.2476
Leishmania major protein kinase, putative 0.0074 0.423 0.5538
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0074 0.423 0.5538
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.3694 0.5333
Giardia lamblia Kinase, CMGC CLK 0.0074 0.423 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.1049 0.1514
Loa Loa (eye worm) hypothetical protein 0.0107 0.684 0.684
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1049 0.1049
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0369 0.0533
Brugia malayi Protein kinase domain containing protein 0.0074 0.423 0.423
Entamoeba histolytica hypothetical protein 0.0108 0.6927 0.8482
Onchocerca volvulus Heat shock factor protein 2 homolog 0.012 0.7811 0.7727
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.1983 0.5
Loa Loa (eye worm) inositol-1 0.0045 0.1983 0.1983
Onchocerca volvulus Huntingtin homolog 0.0148 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.6927 1
Brugia malayi hypothetical protein 0.0024 0.0369 0.0369
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.1983 0.2862
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4457 0.6434
Schistosoma mansoni inositol monophosphatase 0.0045 0.1983 0.2862
Brugia malayi RNA binding protein 0.0076 0.4457 0.4457
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3193 0.3193
Plasmodium falciparum protein serine/threonine kinase-1 0.0074 0.423 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4457 0.6434
Entamoeba histolytica protein kinase, putative 0.0108 0.6927 0.8482
Schistosoma mansoni lamin 0.0033 0.1049 0.1514
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0074 0.423 0.423
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1983 0.1818
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0074 0.423 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.423 0.5538
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1983 0.1818
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1715 0.1715
Loa Loa (eye worm) hypothetical protein 0.0032 0.1003 0.1003
Echinococcus multilocularis dual specificity 0.0108 0.6927 1
Brugia malayi TAR-binding protein 0.0076 0.4457 0.4457
Echinococcus granulosus RUN 0.0024 0.0369 0.0533
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.6927 0.6927
Plasmodium vivax serine/threonine kinase-1, putative 0.0074 0.423 1
Echinococcus granulosus lamin dm0 0.0033 0.1049 0.1514
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.423 0.5538
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.7811 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1983 0.1818
Schistosoma mansoni rab6-interacting 0.0024 0.0369 0.0533
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4457 0.4457
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4457 0.6434
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3193 0.3193
Loa Loa (eye worm) hypothetical protein 0.003 0.0884 0.0884
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4457 0.4457
Brugia malayi HSF-type DNA-binding domain containing protein 0.012 0.7811 0.7811
Echinococcus multilocularis lamin dm0 0.0033 0.1049 0.1514
Echinococcus multilocularis RUN 0.0024 0.0369 0.0533
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0369 0.0533
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0074 0.423 0.5538
Echinococcus multilocularis musashi 0.0033 0.1049 0.1514
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1049 0.1049
Schistosoma mansoni polycystin 1-related 0.0024 0.0369 0.0533
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.423 0.5538
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.423 0.6107
Brugia malayi Doublecortin family protein 0.0024 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.012 0.7811 0.7811
Echinococcus multilocularis dual specificity protein kinase clk2 0.0074 0.423 0.6107
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0369 0.0533
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0369 0.0533
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.6927 0.8482
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.162 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.423 0.5538
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.1983 0.2862
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4457 0.4457
Echinococcus multilocularis 0.0072 0.4144 0.5983
Echinococcus granulosus intermediate filament protein 0.0033 0.1049 0.1514
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4457 0.6434
Schistosoma mansoni inositol monophosphatase 0.0045 0.1983 0.2862
Echinococcus granulosus hypothetical protein 0.0072 0.4144 0.5983
Echinococcus granulosus dual specificity 0.0108 0.6927 1
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0369 0.0533
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.1983 0.3283
Loa Loa (eye worm) hypothetical protein 0.0024 0.0369 0.0369
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.1983 0.5
Brugia malayi hypothetical protein 0.0024 0.0369 0.0369
Loa Loa (eye worm) hypothetical protein 0.006 0.3193 0.3193
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.423 0.6107
Echinococcus granulosus lamin 0.0033 0.1049 0.1514
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.1983 0.1818
Schistosoma mansoni loxhd1 0.0024 0.0369 0.0533
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4457 0.6434
Entamoeba histolytica protein kinase, putative 0.0108 0.6927 0.8482
Brugia malayi Inositol-1 0.0045 0.1983 0.1983
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.7811 1
Trichomonas vaginalis CMGC family protein kinase 0.0074 0.423 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.684 0.684
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4457 0.6434
Echinococcus granulosus dual specificity protein kinase clk2 0.0074 0.423 0.6107
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0884 0.1332
Brugia malayi Protein kinase domain containing protein 0.0108 0.6927 0.6927
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.162 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.6927 1
Loa Loa (eye worm) hypothetical protein 0.0148 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.3694 0.5333
Brugia malayi intermediate filament protein 0.0033 0.1049 0.1049
Brugia malayi hypothetical protein 0.003 0.0884 0.0884
Onchocerca volvulus 0.0033 0.1049 0.0705
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.6927 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0884 0.1332
Loa Loa (eye worm) hypothetical protein 0.0148 1 1
Schistosoma mansoni lamin 0.0033 0.1049 0.1514
Schistosoma mansoni lipoxygenase 0.0024 0.0369 0.0533
Onchocerca volvulus Huntingtin homolog 0.0148 1 1
Schistosoma mansoni rab6-interacting 0.0024 0.0369 0.0533
Leishmania major protein kinase, putative 0.0074 0.423 0.5538
Onchocerca volvulus 0.0033 0.1049 0.0705
Schistosoma mansoni hypothetical protein 0.0024 0.0369 0.0533
Schistosoma mansoni lipoxygenase 0.0067 0.3694 0.5333
Echinococcus multilocularis lamin 0.0033 0.1049 0.1514
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1049 0.1049
Loa Loa (eye worm) RNA binding protein 0.0076 0.4457 0.4457
Entamoeba histolytica heat shock transcription factor, putative 0.012 0.7811 1
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.6927 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0369 0.0533
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.6927 1
Brugia malayi hypothetical protein 0.002 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0072 0.4144 0.4144

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 1.78 uM PUBCHEM_BIOASSAY: Inhibitors of Epstein-Barr LMP1 inducible NF-kappaB luciferase reporter Measured in Cell-Based System Using Plate Reader - 2122-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
AC50 (binding) = 8.33 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A - CLK1 Selectivity Assay Measured in Biochemical System Using Plate Reader - 2124-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (binding) = 11.998 uM PUBCHEM_BIOASSAY: MLPCN Dyrk1A Kinase Measured in Biochemical System Using Plate Reader - 2124-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504442] ChEMBL. No reference
AC50 (functional) = 90.619 uM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] ChEMBL. No reference
AC50 (functional) > 195 uM PUBCHEM_BIOASSAY: Lymphoblastoid Cells (LCL) Cytotoxicity Secondary Assay Measured in Cell-Based System Using Plate Reader - 2122-03_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
EC50 (functional) = 2.797 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
IC50 (functional) > 50 um PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 1046 (Thrombin 1536 HTS; hits were confirmed in this assay)] ChEMBL. No reference
Potency (functional) = 0.0079 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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 Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay Multiplex Screening to Identify Dual Action Probes in a Cell Model of Huntington: Cytoprotection (Protease release). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471, 1688 ] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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 Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (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 JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 39.8107 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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