Detailed information for compound 442746

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 368.508 | Formula: C21H36O5
  • H donors: 2 H acceptors: 4 LogP: 6.71 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCC(=O)C1=C(O)C(OC1=O)CO
  • InChi: 1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3
  • InChiKey: KZTSLHQKWLYYAC-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens protein tyrosine phosphatase, non-receptor type 1 Starlite/ChEMBL References
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens cell division cycle 25B Starlite/ChEMBL References
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL References
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma japonicum ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative Get druggable targets OG5_133865 All targets in OG5_133865
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis cdc25c, putative Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans almost identical to C terminus of CaP19.3071, which is similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. ce Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Candida albicans similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. cerevisiae MIH1 (YMR036C) Get druggable targets OG5_127845 All targets in OG5_127845
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_127845 All targets in OG5_127845
Echinococcus multilocularis tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis m phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) protein-tyrosine phosphatase Get druggable targets OG5_133865 All targets in OG5_133865
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosine protein phosphatase non receptor type Get druggable targets OG5_133865 All targets in OG5_133865
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus granulosus m phase inducer phosphatasecdc25 Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma mansoni m-phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Protein-tyrosine phosphatase containing protein Get druggable targets OG5_133865 All targets in OG5_133865
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 Get druggable targets OG5_133865 All targets in OG5_133865
Schistosoma japonicum expressed protein Get druggable targets OG5_133865 All targets in OG5_133865
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0835 0.071
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0981 0.1601
Onchocerca volvulus 0.0226 0.3106 0.7803
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.181 0.1699
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.181 0.1699
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0981 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Pre-SET motif family protein 0.0036 0.0347 0.0565
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0327 0.0534
Onchocerca volvulus 4.1 G protein, putative homolog 0.0021 0.0135 0.0338
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.2094 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.007 0.0835 0.071
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0434 0.6132 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0493 0.0805
Schistosoma mansoni protein tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi hypothetical protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0347 0.0565
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0021 0.0135 0.0219
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.0135 0.0219
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0137 0.181 0.2952
Brugia malayi hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0434 0.6132 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0.181 0.1699
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0021 0.0135 0.0219
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0981 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3106 0.3012
Trichomonas vaginalis cdc25c, putative 0.0137 0.181 0.1699
Loa Loa (eye worm) hypothetical protein 0.0137 0.181 0.2952
Echinococcus granulosus protein tyrosine phosphatase n9 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein tyrosine phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3106 0.3012
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0137 0.181 0.2952
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.0135 0.0219
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 0.3106 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0981 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0981 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0347 0.0565
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Schistosoma mansoni protein tyrosine phosphatase 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0981 0.1601
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Onchocerca volvulus 0.0021 0.0135 0.0338
Onchocerca volvulus 0.0021 0.0135 0.0338
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0571 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0571 1
Trichomonas vaginalis cdc25b, putative 0.0137 0.181 0.1699
Onchocerca volvulus 0.0021 0.0135 0.0338
Brugia malayi hypothetical protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0137 0.181 0.4547
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 0.3106 0.5066
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0347 0.0565
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0434 0.6132 1
Onchocerca volvulus 0.0021 0.0135 0.0338
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3106 0.3012
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.181 0.1699
Loa Loa (eye worm) hypothetical protein 0.0126 0.1655 0.2699
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0509 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0571 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0571 0.0442
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Loa Loa (eye worm) hypothetical protein 0.0126 0.1655 0.2699
Onchocerca volvulus 0.0036 0.0347 0.0871
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0021 0.0135 0.0219
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0021 0.0135 0.0219
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3106 0.3012
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0021 0.0135 0.0219
Trichomonas vaginalis cdc25b, putative 0.0137 0.181 0.1699
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0347 0.0565
Onchocerca volvulus 0.0286 0.3981 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0347 0.0565
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0509 0.1258
Brugia malayi Rhodanese-like domain containing protein 0.0137 0.181 0.2952
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0347 0.0565
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0981 0.1601
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0226 0.3106 0.5066
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3476 0.567
Schistosoma mansoni pcd6 interacting protein-related 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Rhodanese-like domain containing protein 0.0137 0.181 0.2952
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Echinococcus multilocularis hypothetical protein 0.0021 0.0135 0.0219
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0137 0.181 0.1699
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0137 0.181 0.1699
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 0.3106 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0347 0.0565
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0137 0.181 0.2952
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0021 0.0135 0.0219
Leishmania major hypothetical protein, conserved 0.007 0.0835 0.8269
Onchocerca volvulus 0.0021 0.0135 0.0338
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.3106 0.3012
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.0135 0.0219
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0493 0.0805
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0021 0.0135 0.0219
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0981 0.1601
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 0.3106 0.3012
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0021 0.0135 0.0219
Brugia malayi hypothetical protein 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0835 0.8269
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0021 0.0135 0.0219
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2367 0.3861
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0571 0.0931
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0571 0.0442
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0835 0.8269
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0021 0.0135 0.0219
Loa Loa (eye worm) acetyltransferase 0.0175 0.2367 0.3861
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.181 0.1699
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2367 0.3861
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0021 0.0135 0.0219
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.0835 0.8269
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Schistosoma mansoni protein tyrosine phosphatase 0.0021 0.0135 0.0219
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 0.3106 0.3012
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 0.3106 0.3012
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0135 0.0219
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0981 0.1601
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.2296 0.3744
Echinococcus multilocularis 0.0021 0.0135 0.0219
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0137 0.181 0.2952
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0021 0.0135 0.0219
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0137 0.181 0.1699
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3981 0.3899
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0021 0.0135 0.0219
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0347 0.0565
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0434 0.6132 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0137 0.181 0.4547
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0434 0.6132 1
Onchocerca volvulus 0.0021 0.0135 0.0338
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0509 0.0379
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Brugia malayi Protein-tyrosine phosphatase 1 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Brugia malayi Pre-SET motif family protein 0.0251 0.3476 0.567
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0137 0.181 0.4547
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.07 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0021 0.0135 0.0219
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0021 0.0135 0.0219
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0021 0.0135 0.0219
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0981 0.0858
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0021 0.0135 0.0219
Schistosoma mansoni dual specificity protein phosphatase 0.0014 0.0027 0.0045
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0021 0.0135 0.0219
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2367 0.3861
Onchocerca volvulus 0.0137 0.181 0.4547
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0021 0.0135 0.0219
Onchocerca volvulus 0.0021 0.0135 0.0338

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to bovine serum albumin after 3 hrs by tryptophan emission monitoring analysis ChEMBL. 25938987
Activity (binding) Binding affinity to 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells after 3 hrs by tryptophan emission monitoring analysis ChEMBL. 25938987
Activity (binding) Binding affinity to hen egg lysozyme after 3 hrs by tryptophan emission monitoring analysis ChEMBL. 25938987
Activity (binding) Binding affinity to 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as protein aggregate formation up to 100 uM after 1 hr by native PAGE analysis ChEMBL. 25938987
IC50 (binding) = 0.7 uM Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis ChEMBL. 25938987
IC50 (binding) = 8.6 uM Inhibition of full length 6-His-N-terminal tagged human LMW-PTP expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis ChEMBL. 25938987
IC50 (binding) = 12.4 uM Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis ChEMBL. 25938987
IC50 (binding) = 45 uM Inhibition of PTP1B by colorimetric assay ChEMBL. 17596944
Inhibition (binding) Reversible inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate at 5 uM incubated for 15 mins prior to substrate addition measured after drug wash out by plate reader analysis ChEMBL. 25938987
Inhibition (binding) Inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate incubated for 15 mins prior to substrate addition by plate reader analysis in presence of 25 mM ammonium sulfate ChEMBL. 25938987
Inhibition (binding) Inhibition of 6-His-N-terminal tagged human CDC-25B isoform 3 catalytic domain expressed in Escherichia coli BL21 (DE3) cells assessed as pNP formation using pNPP as substrate at 100 uM by plate reader analysis in presence of 50 mM MgCl2 ChEMBL. 25938987
Inhibition (binding) Time-dependent inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate treated with compound prior to substrate addition by plate reader analysis ChEMBL. 25938987
Inhibition (binding) Mixed type of inhibition of 6-His-N-terminal tagged human PTP1B expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate by Lineweaver-Burk plot analysis ChEMBL. 25938987
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (binding) = 14.1254 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) 14.1254 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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