Detailed information for compound 1439310

Basic information

Technical information
  • TDR Targets ID: 1439310
  • Name: 2-(2,5,6-trimethylthieno[3,2-e]pyrimidin-4-yl )sulfanylacetonitrile
  • MW: 249.355 | Formula: C11H11N3S2
  • H donors: 0 H acceptors: 3 LogP: 3.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCSc1nc(C)nc2c1c(C)c(s2)C
  • InChi: 1S/C11H11N3S2/c1-6-7(2)16-11-9(6)10(15-5-4-12)13-8(3)14-11/h5H2,1-3H3
  • InChiKey: QFZYPSDGDRFDCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2,5,6-trimethyl-4-thieno[3,2-e]pyrimidinyl)thio]acetonitrile
  • 2-[(2,5,6-trimethylthieno[3,2-e]pyrimidin-4-yl)thio]acetonitrile
  • 2-(2,5,6-trimethylthieno[3,2-e]pyrimidin-4-yl)sulfanylethanenitrile
  • SDCCGMLS-0006238.P002
  • ZINC04196768
  • MLS000049667
  • SMR000076280
  • [(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
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
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
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
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4099 0.4358
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0843 0.5034
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0843 0.4505
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1433 0.1523
Echinococcus multilocularis protein cereblon 0.0305 0.9406 1
Trypanosoma cruzi trypanothione reductase, putative 0.0064 0.1724 0.9457
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0843 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0843 0.0843
Mycobacterium ulcerans lipase LipD 0.0037 0.0843 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0843 0.068
Brugia malayi hypothetical protein 0.0237 0.7229 0.7685
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1591 0.1691
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1433 0.1433
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.019 0.0926
Schistosoma mansoni hypothetical protein 0.0058 0.1529 0.1625
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.182 1
Schistosoma mansoni hypothetical protein 0.0173 0.5188 0.5516
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.182 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0016 0.0193 0.0206
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.182 1
Leishmania major glycosyl hydrolase-like protein 0.0016 0.019 0.0829
Loa Loa (eye worm) blistered cuticle protein 3 0.0237 0.7229 0.7229
Onchocerca volvulus 0.0058 0.1529 0.1625
Onchocerca volvulus Peroxidase homolog 0.0237 0.7229 0.7685
Toxoplasma gondii NADPH-glutathione reductase 0.0022 0.0382 0.1556
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0366 0.0389
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1633 0.895
Loa Loa (eye worm) hypothetical protein 0.0019 0.0278 0.0278
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0915 0.0973
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1063 0.5743
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.019 0.0926
Loa Loa (eye worm) glutathione reductase 0.0064 0.1724 0.1724
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1633 0.895
Plasmodium falciparum glutathione reductase 0.0064 0.1724 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1063 0.6417
Mycobacterium leprae Probable lipase LipE 0.0037 0.0843 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0022 0.0382 0.1526
Entamoeba histolytica hypothetical protein, conserved 0.0305 0.9406 1
Onchocerca volvulus 0.0114 0.33 0.3509
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0843 0.5034
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0843 0.4438
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.182 0.1935
Toxoplasma gondii ABC1 family protein 0.0037 0.0843 0.4457
Schistosoma mansoni hypothetical protein 0.0041 0.0983 0.1046
Loa Loa (eye worm) hypothetical protein 0.0286 0.8779 0.8779
Brugia malayi Animal haem peroxidase family protein 0.0237 0.7229 0.7685
Brugia malayi Peroxidasin 0.0237 0.7229 0.7685
Echinococcus granulosus bloom syndrome protein 0.0022 0.0366 0.0389
Loa Loa (eye worm) hypothetical protein 0.0041 0.0983 0.0983
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0022 0.0382 0.0406
Brugia malayi hypothetical protein 0.0305 0.9406 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1633 0.895
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0843 0.5034
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.1063 0.5843
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0843 0.0896
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1633 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1433 0.1523
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.019 0.0926
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0022 0.0382 0.07
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0022 0.0382 0.1556
Onchocerca volvulus 0.0037 0.0843 0.0896
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1633 0.1737
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1633 0.895
Brugia malayi Animal haem peroxidase family protein 0.0237 0.7229 0.7685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1433 0.1523
Schistosoma mansoni alpha-glucosidase 0.0169 0.5072 0.5392
Brugia malayi hypothetical protein 0.0124 0.3634 0.3864
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1433 0.1523
Leishmania major hypothetical protein, conserved 0.0037 0.0843 0.4505
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1633 1
Schistosoma mansoni hypothetical protein 0.0019 0.0278 0.0296
Loa Loa (eye worm) beta-lactamase 0.0037 0.0843 0.0843
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1633 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0843 0.068
Mycobacterium tuberculosis Conserved protein 0.0037 0.0843 0.068
Brugia malayi Blistered cuticle protein 3 0.0237 0.7229 0.7685
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0278 0.0296
Schistosoma mansoni hypothetical protein 0.0019 0.0278 0.0296
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0382 0.1913
Onchocerca volvulus 0.0037 0.0843 0.0896
Brugia malayi hypothetical protein 0.0286 0.8779 0.9333
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.182 0.1935
Schistosoma mansoni hypothetical protein 0.0173 0.5188 0.5516
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0843 0.4505
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.1063 0.5743
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.182 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0022 0.0382 0.1913
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1633 0.1737
Loa Loa (eye worm) animal heme peroxidase 0.0237 0.7229 0.7229
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0278 0.0278
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0843 0.0896
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0022 0.0382 0.1913
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0016 0.0193 0.0206
Brugia malayi Animal haem peroxidase family protein 0.0237 0.7229 0.7685
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.019 0.0829
Trypanosoma brucei trypanothione reductase 0.0064 0.1724 0.9457
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0843 0.0896
Brugia malayi beta-lactamase 0.0037 0.0843 0.0896
Loa Loa (eye worm) animal heme peroxidase 0.0237 0.7229 0.7229
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1633 0.895
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1063 0.6417
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1063 0.6417
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0022 0.0382 0.1913
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.1063 0.6417
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0016 0.019 0.0157
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0915 0.0973
Mycobacterium tuberculosis Conserved protein 0.0037 0.0843 0.068
Onchocerca volvulus Protein cereblon homolog 0.0305 0.9406 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0016 0.019 0.0829
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.5946 0.5946
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0382 0.5
Mycobacterium tuberculosis Conserved protein 0.0037 0.0843 0.068
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1063 0.6417
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1633 0.1737
Toxoplasma gondii thioredoxin reductase 0.0064 0.1724 1
Brugia malayi glutathione reductase 0.0064 0.1724 0.1833
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0366 0.2033
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.1063 0.1063
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0022 0.0382 0.5
Onchocerca volvulus Peroxidase homolog 0.0237 0.7229 0.7685
Echinococcus granulosus geminin 0.0173 0.5188 0.5516
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Trichomonas vaginalis esterase, putative 0.0037 0.0843 0.5034
Trichomonas vaginalis maltase-glucoamylase, putative 0.0016 0.019 0.0926
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0278 0.0296
Trypanosoma brucei glucosidase, putative 0.0044 0.1063 0.5743
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.182 0.1935
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0843 0.4505
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0278 0.0296
Trypanosoma brucei glycosyl hydrolase-like protein 0.0016 0.019 0.0829
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Schistosoma mansoni peroxidasin 0.0237 0.7229 0.7685
Schistosoma mansoni survival motor neuron protein 0.0058 0.1529 0.1625
Schistosoma mansoni hypothetical protein 0.0305 0.9406 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0022 0.0382 0.1913
Echinococcus granulosus thioredoxin glutathione reductase 0.0064 0.1724 0.1833
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0022 0.0382 0.0406
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0278 0.0296
Echinococcus multilocularis thioredoxin glutathione reductase 0.0064 0.1724 0.1833
Schistosoma mansoni alpha-glucosidase 0.0169 0.5072 0.5392
Onchocerca volvulus Dual oxidase homolog 0.0237 0.7229 0.7685
Plasmodium falciparum thioredoxin reductase 0.0064 0.1724 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0278 0.0296
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.1063 0.5743
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.377 0.4008
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.5946 0.6321
Brugia malayi MAP kinase sur-1 0.0062 0.1633 0.1737
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.019 0.0926
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0843 0.5034
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0016 0.019 0.0926
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Onchocerca volvulus Chorion peroxidase homolog 0.0237 0.7229 0.7685
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1063 0.6417
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1433 0.1523
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5946 0.6321
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0278 0.0296
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0022 0.0382 0.0406
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0843 0.068
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.8591 0.8591
Onchocerca volvulus 0.0237 0.7229 0.7685
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0983 0.1046
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Loa Loa (eye worm) hypothetical protein 0.0305 0.9406 0.9406
Mycobacterium ulcerans hypothetical protein 0.0037 0.0843 1
Schistosoma mansoni peroxidasin 0.0237 0.7229 0.7685
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0843 1
Brugia malayi beta-lactamase family protein 0.0037 0.0843 0.0896
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0278 0.0296
Echinococcus granulosus GPCR family 2 0.0019 0.0278 0.0296
Schistosoma mansoni hypothetical protein 0.0019 0.0278 0.0296
Plasmodium vivax thioredoxin reductase, putative 0.0064 0.1724 1
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0366 0.0389
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.716 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0382 0.1913
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.1063 0.6417
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1633 0.895
Trypanosoma cruzi trypanothione reductase, putative 0.0022 0.0382 0.1913
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0843 0.068
Brugia malayi Animal haem peroxidase family protein 0.0237 0.7229 0.7685
Plasmodium falciparum glutathione reductase 0.0022 0.0382 0.07
Onchocerca volvulus 0.0237 0.7229 0.7685
Loa Loa (eye worm) hypothetical protein 0.006 0.1591 0.1591
Trypanosoma brucei protein kinase, putative 0.0062 0.1633 0.895
Plasmodium falciparum thioredoxin reductase 0.0022 0.0382 0.07
Onchocerca volvulus Peroxidasin homolog 0.0237 0.7229 0.7685
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1633 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0225 0.0225
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Onchocerca volvulus Peroxidasin homolog 0.0237 0.7229 0.7685
Brugia malayi beta-lactamase family protein 0.0037 0.0843 0.0896
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1063 0.1091
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0843 0.068
Echinococcus multilocularis geminin 0.0173 0.5188 0.5516
Loa Loa (eye worm) RecQ helicase 0.0022 0.0366 0.0366
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1433 0.1523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1433 0.1523
Onchocerca volvulus 0.0037 0.0843 0.0896
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.1063 0.6417
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1633 0.9432
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Treponema pallidum NADH oxidase 0.0022 0.0382 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1633 1
Plasmodium vivax glutathione reductase, putative 0.0064 0.1724 1
Schistosoma mansoni hypothetical protein 0.0129 0.377 0.4008
Onchocerca volvulus 0.0237 0.7229 0.7685
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.377 0.4008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1433 0.1523
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0843 0.068
Brugia malayi follicle stimulating hormone receptor 0.028 0.8591 0.9134
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1591 0.1691
Echinococcus granulosus peroxidasin 0.0237 0.7229 0.7685
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1633 0.1633
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0022 0.0382 0.07
Trichomonas vaginalis glutathione reductase, putative 0.0022 0.0382 0.2138
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0016 0.019 0.0202
Schistosoma mansoni hypothetical protein 0.0019 0.0278 0.0296
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.1063 0.1131
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Brugia malayi Animal haem peroxidase family protein 0.0237 0.7229 0.7685
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.182 0.1899
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0022 0.0382 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0237 0.7229 0.7229
Echinococcus multilocularis thyroid hormone receptor alpha 0.0139 0.4099 0.4358
Loa Loa (eye worm) animal heme peroxidase 0.0237 0.7229 0.7229
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.1063 0.1091
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0843 0.5034
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0843 0.068
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0064 0.1724 0.1979
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0843 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0022 0.0382 0.0406
Echinococcus granulosus protein cereblon 0.0305 0.9406 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.5946 0.6321
Echinococcus multilocularis peroxidasin 0.0237 0.7229 0.7685
Loa Loa (eye worm) hypothetical protein 0.0037 0.0843 0.0843
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.5946 0.6321
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1529 0.1625
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.182 0.1935
Loa Loa (eye worm) hypothetical protein 0.0016 0.019 0.019
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.019 0.0926
Loa Loa (eye worm) thioredoxin reductase 0.0064 0.1724 0.1724
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1633 0.895
Trichomonas vaginalis mercuric reductase, putative 0.0022 0.0382 0.2138
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.1063 0.1131
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1633 0.1737
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0022 0.0382 0.1913
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1591 0.1591
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1633 0.1737
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0022 0.0382 0.1913
Trichomonas vaginalis alpha-glucosidase, putative 0.0016 0.019 0.0926
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0843 0.0896
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.1063 0.6417
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0843 0.0896
Mycobacterium ulcerans beta-lactamase 0.0037 0.0843 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8779 0.9333
Leishmania major trypanothione reductase 0.0064 0.1724 0.9457
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.1063 0.1131
Schistosoma mansoni alpha glucosidase 0.0044 0.1063 0.1131
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8779 0.9333
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.022 0.0233
Brugia malayi Glycosyl hydrolases family 31 protein 0.0016 0.019 0.0202
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0022 0.0382 0.1526
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0022 0.0382 0.1913
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.182 0.182
Brugia malayi Thioredoxin reductase 0.0064 0.1724 0.1833
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0366 0.2033
Schistosoma mansoni thyroid hormone receptor 0.0139 0.4099 0.4358
Loa Loa (eye worm) hypothetical protein 0.0237 0.7229 0.7229

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 2.5119 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 the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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