Detailed information for compound 1407791

Basic information

Technical information
  • TDR Targets ID: 1407791
  • Name: 2-ethylsulfanyl-6-pyridin-3-ylpyridine-3-carb onitrile
  • MW: 241.312 | Formula: C13H11N3S
  • H donors: 0 H acceptors: 3 LogP: 2.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nc(ccc1C#N)c1cccnc1
  • InChi: 1S/C13H11N3S/c1-2-17-13-10(8-14)5-6-12(16-13)11-4-3-7-15-9-11/h3-7,9H,2H2,1H3
  • InChiKey: MSKVKMKKCBYFHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethylsulfanyl-6-(3-pyridyl)pyridine-3-carbonitrile
  • 2-(ethylthio)-6-(3-pyridyl)-3-pyridinecarbonitrile
  • 2-(ethylthio)-6-(3-pyridyl)nicotinonitrile
  • 2-ethylsulfanyl-6-pyridin-3-yl-pyridine-3-carbonitrile
  • SMR000211478
  • STOCK1S-28642
  • ZINC00496333
  • 6-Ethylsulfanyl-[2,3']bipyridinyl-5-carbonitrile
  • MLS000587477

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens GNAS complex locus 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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana Get druggable targets OG5_126990 All targets in OG5_126990
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei CMGC/DYRK protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense serine/threonine-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase 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
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus hypothetical protein Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania mexicana protein kinase, putative 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) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Serine/threonine-protein kinase minibrain, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus multilocularis dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum protein kinase, 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K08823 CDC-like kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis lamin dm0 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 Protein kinase domain containing protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Onchocerca volvulus 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
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) CMGC/CLK protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense kinetoplastid kinetochore protein, 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 hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Schistosoma japonicum ko:K07611 lamin, putative 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
Trypanosoma congolense serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Plasmodium knowlesi serine/threonine kinase-1, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania donovani serine/threonine-protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania braziliensis protein 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
Trypanosoma congolense kinetoplastid kinetochore protein, putative Get druggable targets OG5_126990 All targets in OG5_126990
Brugia malayi Protein kinase domain containing protein 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
Babesia bovis protein serine/threonine kinase 1 Get druggable targets OG5_126990 All targets in OG5_126990
Echinococcus multilocularis Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma congolense kinetoplastid kinetochore protein 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania infantum protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus dual specificity protein kinase clk2 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
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase Get druggable targets OG5_127901 All targets in OG5_127901
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 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
Plasmodium yoelii protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein 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
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative Get druggable targets OG5_126990 All targets in OG5_126990
Giardia lamblia Kinase, CMGC CLK Get druggable targets OG5_126990 All targets in OG5_126990
Schistosoma mansoni serine/threonine protein kinase 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
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 19 Get druggable targets OG5_126990 All targets in OG5_126990
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_126990 All targets in OG5_126990
Leishmania major protein kinase, putative 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 intermediate filament 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
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus dual specificity Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis dual specificity protein kinase clk2 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
Plasmodium falciparum protein serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Leishmania major protein kinase, putative Get druggable targets OG5_126990 All targets in OG5_126990
Cryptosporidium hominis serine/threonine kinase-1 Get druggable targets OG5_126990 All targets in OG5_126990
Trypanosoma brucei kinetoplastid kinetochore protein 10 Get druggable targets OG5_126990 All targets in OG5_126990
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127901 All targets in OG5_127901
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
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 10, putative Get druggable targets OG5_126990 All targets in OG5_126990
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0616 0.1028
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0055 0.0093
Onchocerca volvulus 0.0035 0.0616 0.0297
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.1852 0.5855
Loa Loa (eye worm) hypothetical protein 0.0029 0.0425 0.0712
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0616 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.3208 0.5375
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.1852 0.6107
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0616 0.1783
Onchocerca volvulus 0.0035 0.0616 0.0297
Brugia malayi beta-lactamase 0.0035 0.0616 0.1028
Schistosoma mansoni intermediate filament proteins 0.0033 0.0539 0.1514
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0616 0.1251
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0425 0.0425
Echinococcus granulosus lamin dm0 0.0033 0.0539 0.0539
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0107 0.0107
Leishmania major protein kinase, putative 0.0074 0.1852 0.5855
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0074 0.1852 0.6107
Entamoeba histolytica hypothetical protein 0.0108 0.2964 0.5
Onchocerca volvulus 0.023 0.686 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0074 0.1852 0.5855
Schistosoma mansoni lamin 0.0033 0.0539 0.1514
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0425 0.0425
Brugia malayi hypothetical protein 0.0024 0.028 0.0466
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1424 0.2386
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0616 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0616 0.5
Entamoeba histolytica protein kinase, putative 0.0108 0.2964 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0616 0.5
Echinococcus multilocularis lamin 0.0033 0.0539 0.0539
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1265 0.1265
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0539 0.09
Plasmodium vivax SET domain protein, putative 0.0029 0.0425 0.0919
Loa Loa (eye worm) hypothetical protein 0.0041 0.0814 0.1365
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0107 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1265 0.4053
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0616 0.1251
Mycobacterium leprae Probable lipase LipE 0.0035 0.0616 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0539 0.0904
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0032 0.052 0.0872
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0074 0.1852 0.5855
Echinococcus granulosus dual specificity protein kinase clk2 0.0074 0.1852 0.1852
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0074 0.1852 0.3104
Echinococcus granulosus GPCR family 2 0.0019 0.0107 0.0107
Brugia malayi Protein kinase domain containing protein 0.0108 0.2964 0.4966
Loa Loa (eye worm) hypothetical protein 0.0072 0.1816 0.3044
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0616 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0107 0.0174
Brugia malayi Protein kinase domain containing protein 0.0074 0.1852 0.3101
Onchocerca volvulus 0.0035 0.0616 0.0297
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0616 0.0616
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0425 0.0919
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1265 0.1265
Onchocerca volvulus 0.0048 0.1034 0.0947
Echinococcus multilocularis musashi 0.0033 0.0539 0.0539
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0055 0.0088
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0108 0.2964 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0074 0.1852 0.1852
Echinococcus multilocularis lamin dm0 0.0033 0.0539 0.0539
Entamoeba histolytica protein kinase, putative 0.0108 0.2964 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1265 0.4053
Schistosoma mansoni lamin 0.0033 0.0539 0.1514
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0108 0.2964 0.4969
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0616 0.1033
Brugia malayi intermediate filament protein 0.0033 0.0539 0.09
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0074 0.1852 1
Brugia malayi Pre-SET motif family protein 0.0029 0.0425 0.0708
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0107 0.0174
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0616 0.1251
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0616 0.2136
Loa Loa (eye worm) beta-lactamase 0.0035 0.0616 0.1033
Echinococcus multilocularis 0.0072 0.1816 0.1816
Loa Loa (eye worm) hypothetical protein 0.0048 0.1034 0.1734
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0425 0.1114
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0107 0.0107
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1424 0.2383
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.5966 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.1034 0.3246
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.1852 0.5855
Brugia malayi beta-lactamase family protein 0.0035 0.0616 0.1028
Giardia lamblia Kinase, CMGC CLK 0.0074 0.1852 0.5
Brugia malayi Pre-SET motif family protein 0.0202 0.5966 1
Plasmodium falciparum protein serine/threonine kinase-1 0.0074 0.1852 1
Echinococcus granulosus hypothetical protein 0.0072 0.1816 0.1816
Echinococcus granulosus dual specificity 0.0108 0.2964 0.2964
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1265 0.2117
Echinococcus granulosus lamin 0.0033 0.0539 0.0539
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1265 0.1265
Loa Loa (eye worm) hypothetical protein 0.0019 0.0107 0.0179
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Toxoplasma gondii ABC1 family protein 0.0035 0.0616 0.2136
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0425 0.1114
Trichomonas vaginalis set domain proteins, putative 0.023 0.686 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3208 0.5377
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1265 0.212
Onchocerca volvulus 0.0033 0.0539 0.0178
Leishmania major protein kinase, putative 0.0074 0.1852 0.5855
Loa Loa (eye worm) hypothetical protein 0.0107 0.2929 0.4909
Echinococcus multilocularis GPCR, family 2 0.0019 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0539 0.0904
Schistosoma mansoni hypothetical protein 0.0041 0.0814 0.2476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1265 0.4053
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0074 0.1852 0.5855
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2964 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0539 0.0904
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1424 0.2383
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0108 0.2964 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1265 0.1265
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0616 0.0616
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0074 0.1852 0.5855
Onchocerca volvulus 0.0033 0.0539 0.0178
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0425 0.0425
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0425 0.1114
Loa Loa (eye worm) hypothetical protein 0.0107 0.2929 0.4909
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.6647 1
Trichomonas vaginalis CMGC family protein kinase 0.0074 0.1852 0.1979
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0108 0.2964 1
Echinococcus multilocularis dual specificity 0.0108 0.2964 0.2964
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0425 0.1114
Loa Loa (eye worm) hypothetical protein 0.006 0.1424 0.2386
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0814 0.1361
Loa Loa (eye worm) hypothetical protein 0.0024 0.028 0.047
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0391 0.0391
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3208 0.5377
Brugia malayi beta-lactamase family protein 0.0035 0.0616 0.1028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.2964 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0074 0.1852 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0616 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0107 0.0179
Entamoeba histolytica protein kinase domain containing protein 0.0108 0.2964 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0616 0.1251
Loa Loa (eye worm) hypothetical protein 0.0035 0.0616 0.1033
Echinococcus granulosus intermediate filament protein 0.0033 0.0539 0.0539
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0616 0.1783

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 3.356 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 (binding) = 16.27 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
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 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) 32.6427 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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