Detailed information for compound 1411557

Basic information

Technical information
  • TDR Targets ID: 1411557
  • Name: [2,6-dimethoxy-4-(morpholine-4-carbothioyl)ph enyl] 3,4-dimethoxybenzoate
  • MW: 447.501 | Formula: C22H25NO7S
  • H donors: 0 H acceptors: 1 LogP: 2.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC(=O)c1ccc(c(c1)OC)OC)OC)C(=S)N1CCOCC1
  • InChi: 1S/C22H25NO7S/c1-25-16-6-5-14(11-17(16)26-2)22(24)30-20-18(27-3)12-15(13-19(20)28-4)21(31)23-7-9-29-10-8-23/h5-6,11-13H,7-10H2,1-4H3
  • InChiKey: CHNKPTCDWULZEZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-dimethoxybenzoic acid [2,6-dimethoxy-4-(morpholino-thioxomethyl)phenyl] ester
  • 3,4-dimethoxybenzoic acid [2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenyl] ester
  • (2,6-dimethoxy-4-morpholin-4-ylcarbothioyl-phenyl) 3,4-dimethoxybenzoate
  • AN-698/41081220
  • ZINC02142415
  • 2,6-dimethoxy-4-(4-morpholinylcarbothioyl)phenyl 3,4-dimethoxybenzoate
  • MLS001180476
  • SMR000477390

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) acetyltransferase 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
Theileria parva histone acetyltransferase Gcn5, 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
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium hominis histone acetyltransferase 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
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative 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
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.006 0.0048
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0299 0.0494
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.006 0.0048
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0168 0.0247
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Onchocerca volvulus 0.0155 0.1039 0.4943
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0156 0.0191
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0238 0.0795
Schistosoma mansoni chromobox protein 0.0084 0.0513 0.0882
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Brugia malayi Peroxidasin 0.0027 0.0085 0.0156
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.006 0.0109
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0244
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Brugia malayi PXA domain containing protein 0.0023 0.006 0.0109
Trichomonas vaginalis C-MYB, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Trichomonas vaginalis pc-MYB2, putative 0.0029 0.0104 0.0228
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0238 0.0913
Schistosoma mansoni peroxidasin 0.0027 0.0085 0.0095
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0106 0.0139
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.002 0.0034 0.0111
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.006 0.0048
Echinococcus granulosus axis inhibition protein axin 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.006 0.0048
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0372 0.0628
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Echinococcus multilocularis geminin 0.0174 0.1179 0.2106
Brugia malayi hypothetical protein 0.0027 0.0085 0.0156
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0751 0.5472 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0156 0.0225
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0156 0.0225
Echinococcus multilocularis chromobox protein 1 0.0084 0.0513 0.0882
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0976 0.7149 1
Loa Loa (eye worm) hypothetical protein 0.0751 0.5472 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0513 0.232
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0156 0.0225
Brugia malayi B-box zinc finger family protein 0.002 0.0034 0.0062
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0265 0.105
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0513 0.232
Loa Loa (eye worm) hypothetical protein 0.0047 0.0238 0.0383
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0258 0.0413
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0146 0.0206
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0751 0.5472 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0265 0.105
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0271 0.0436
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0299 0.0487
Brugia malayi Heterochromatin protein 1 0.0084 0.0513 0.0938
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Schistosoma mansoni dopamine-beta-monooxygenase 0.0399 0.2853 0.5185
Trichomonas vaginalis pc-MYB2, putative 0.0029 0.0104 0.0228
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0239 0.5
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Brugia malayi Pre-SET motif family protein 0.0251 0.1757 0.3211
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.006 0.0055
Echinococcus multilocularis chromobox protein 1 0.0084 0.0513 0.0882
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.006 0.0055
Brugia malayi Cytochrome P450 family protein 0.0019 0.003 0.0055
Brugia malayi B-box zinc finger family protein 0.002 0.0034 0.0062
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0372 0.0622
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0196 0.1348 0.2464
Loa Loa (eye worm) acetyltransferase 0.0175 0.1189 0.2131
Brugia malayi hypothetical protein 0.0023 0.006 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0238 0.0913
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.006 0.0055
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.006 0.0109
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0383 0.2739 0.2717
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0136 0.039
Schistosoma mansoni peptidylglycine monooxygenase 0.0399 0.2853 0.5185
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Echinococcus multilocularis peroxidasin 0.0027 0.0085 0.0095
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0271 0.0627
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.006 0.0048
Schistosoma mansoni peroxidasin 0.0027 0.0085 0.0095
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0372 1
Loa Loa (eye worm) RGS-3 protein 0.0023 0.006 0.0055
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.006 0.0048
Brugia malayi B-box type zinc-finger protein ncl-1 0.002 0.0034 0.0062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0299 0.0487
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 1
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0751 0.5472 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1757 0.3173
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0372 0.068
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0513 0.0889
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2015 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 0.5
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0105 0.0233
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Schistosoma mansoni axis inhibition protein axin 0.0023 0.006 0.0048
Trichomonas vaginalis MYB72, putative 0.0029 0.0104 0.0228
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0372 1
Loa Loa (eye worm) NCL-1 protein 0.002 0.0034 0.0007
Onchocerca volvulus 0.0286 0.2015 1
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.006 0.0048
Echinococcus granulosus chromobox protein 1 0.0084 0.0513 0.0882
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.006 0.0048
Schistosoma mansoni hypothetical protein 0.0174 0.1179 0.2106
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Schistosoma mansoni axis inhibition protein axin 0.0023 0.006 0.0048
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Brugia malayi Cytochrome P450 family protein 0.0029 0.0106 0.0193
Brugia malayi Cytochrome P450 family protein 0.0019 0.003 0.0055
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0265 0.0933
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0299 0.0487
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0299 0.0546
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.006 0.0048
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Brugia malayi Blistered cuticle protein 3 0.0027 0.0085 0.0156
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Brugia malayi hypothetical protein 0.0023 0.006 0.0109
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.006 0.0048
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0104 0.0228
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.006 0.0048
Brugia malayi hypothetical protein 0.0155 0.1039 0.1899
Trichomonas vaginalis MYB, putative 0.0029 0.0105 0.0233
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1189 0.2174
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.006 0.0048
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0136 0.039
Onchocerca volvulus 0.0037 0.0163 0.0402
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0271 1
Loa Loa (eye worm) B-box zinc finger family protein 0.002 0.0034 0.0007
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.136 1 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.006 0.0048
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0271 0.0627
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.006 0.0048
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.006 0.0109
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0271 0.1077
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.006 0.0109
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0372 1
Giardia lamblia Myb 1-like protein 0.0029 0.0105 0.3502
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0156 0.0225
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.006 0.0055
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.006 0.0048
Loa Loa (eye worm) hypothetical protein 0.0399 0.2853 0.5189
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.006 0.0048
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Schistosoma mansoni chromobox protein 0.0084 0.0513 0.0882
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0104 0.2092
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Echinococcus granulosus geminin 0.0174 0.1179 0.2106
Brugia malayi chromobox protein homolog 3 0.0047 0.0238 0.0436
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0299 0.0487
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0239 0.606
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0299 0.0487
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Brugia malayi Hypothetical RING finger protein F54G8.4 in chromosome III 0.002 0.0034 0.0062
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0239 1
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Trichomonas vaginalis C-MYB, putative 0.0029 0.0104 0.0228
Brugia malayi B-box type zinc-finger protein ncl-1 0.002 0.0034 0.0062
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.006 0.0109
Loa Loa (eye worm) hypothetical protein 0.0027 0.0085 0.0102
Echinococcus multilocularis expressed protein 0.0451 0.324 0.5896
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1153 0.2058
Echinococcus granulosus chromobox protein 1 0.0084 0.0513 0.0882
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.006 0.0048
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0976 0.7149 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0383 0.2739 1
Loa Loa (eye worm) hypothetical protein 0.0155 0.1039 0.1855
Schistosoma mansoni hypothetical protein 0.0174 0.1179 0.2106
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Entamoeba histolytica hypothetical protein 0.0023 0.006 0.0775
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.006 0.0109
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0085 0.0156
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.006 0.0048
Brugia malayi Pre-SET motif family protein 0.0036 0.0156 0.0285
Trichomonas vaginalis MYB3r3, putative 0.0029 0.0104 0.0228
Loa Loa (eye worm) hypothetical protein 0.0036 0.0156 0.0231
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0372 0.0622
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0055
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0372 0.0622
Loa Loa (eye worm) B-box zinc finger family protein 0.002 0.0034 0.0007
Echinococcus granulosus axis inhibition protein axin 0.0023 0.006 0.0048
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0085 0.0102
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0751 0.5472 1
Loa Loa (eye worm) RING finger protein nhl-1 0.002 0.0034 0.0007
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0271 0.1077
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0168 0.0247
Schistosoma mansoni regulator of G protein signaling 0.0023 0.006 0.0048
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0399 0.2853 0.5215
Echinococcus granulosus peroxidasin 0.0027 0.0085 0.0095
Echinococcus granulosus expressed protein 0.0451 0.324 0.5896
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1189 0.2125
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.006 0.0048
Onchocerca volvulus 0.005 0.0258 0.0897
Brugia malayi PXA domain containing protein 0.0023 0.006 0.0109
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0105 0.0233
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.006 0.0048
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1189 0.2125
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0202 0.1393 0.2545
Trypanosoma brucei flagellum-adhesion glycoprotein, putative 0.002 0.0034 0.0111
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.006 0.0048

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 17.7828 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
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 21.1923 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

No literature references available for this target.

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