Detailed information for compound 1409027

Basic information

Technical information
  • TDR Targets ID: 1409027
  • Name: methyl 4-[3-(4-bromophenyl)sulfonylpropanoyla mino]benzoate
  • MW: 426.282 | Formula: C17H16BrNO5S
  • H donors: 1 H acceptors: 4 LogP: 2.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)CCS(=O)(=O)c1ccc(cc1)Br
  • InChi: 1S/C17H16BrNO5S/c1-24-17(21)12-2-6-14(7-3-12)19-16(20)10-11-25(22,23)15-8-4-13(18)5-9-15/h2-9H,10-11H2,1H3,(H,19,20)
  • InChiKey: IEDSLHMTZWRRIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[3-(4-bromophenyl)sulfonyl-1-oxopropyl]amino]benzoic acid methyl ester
  • 4-[3-(4-bromophenyl)sulfonylpropanoylamino]benzoic acid methyl ester
  • MLS000682779
  • SMR000312136
  • methyl 4-({3-[(4-bromophenyl)sulfonyl]propanoyl}amino)benzoate
  • K978-0917
  • NCGC00126967-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens adrenergic, beta, receptor kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi acetyltransferase, GNAT family protein 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
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) acetyltransferase 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 granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus beta-adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum G protein-coupled receptor kinase 1, putative Get druggable targets OG5_131467 All targets in OG5_131467
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131467 All targets in OG5_131467
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Echinococcus multilocularis beta adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K00924 G-protein-coupled Receptor Kinase [EC:2.7.1.-], putative Get druggable targets OG5_131467 All targets in OG5_131467
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) AGC/GRK/BARK protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Giardia lamblia U5 small nuclear ribonucleoprotein 200 kDa helicase, putative RecQ helicase-like 649 aa 521 aa 19.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0199 0.0381
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5219 0.5219
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0199 0.0199
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0024 0.056 0.1106
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Brugia malayi hypothetical protein 0.0006 0.0021 0.0021
Schistosoma mansoni z-protein (S1r protein) 0.0012 0.0179 0.0179
Echinococcus granulosus lamin dm0 0.0033 0.0827 0.1631
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0199 0.0392
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.056 0.0388
Schistosoma mansoni regulator of G protein signaling 0.0012 0.0179 0.0179
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0012 0.0179 0.0354
Loa Loa (eye worm) hypothetical protein 0.0015 0.0289 0.0289
Schistosoma mansoni DNA helicase recq5 0.0024 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0032 0.0808 0.0808
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0199 0.2405
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0006 0.0021 0.0021
Echinococcus multilocularis G protein coupled receptor kinase 1 0.01 0.2914 0.5584
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0199 0.0381
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.056 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0199 0.0392
Schistosoma mansoni regulator of G protein signaling 0.0012 0.0179 0.0179
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0199 0.0381
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0307 0.0606
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0199 0.0199
Brugia malayi hypothetical protein 0.0012 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Echinococcus granulosus axis inhibition protein axin 0.0012 0.0179 0.0354
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.056 0.056
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0199 0.0199
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0199 0.0199
Loa Loa (eye worm) PXA domain-containing protein 0.0012 0.0179 0.0179
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0199 0.0381
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5219 1
Mycobacterium ulcerans glutaminase 0.033 1 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5219 0.5219
Echinococcus granulosus regulator of G protein signaling 7 0.0012 0.0179 0.0354
Echinococcus granulosus Regulator of G protein signaling 20 0.0012 0.0179 0.0354
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0012 0.0179 0.0344
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.056 0.307
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.1409 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0827 0.0827
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.056 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0199 0.0199
Onchocerca volvulus 0.0012 0.0199 0.2405
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0024 0.056 0.307
Loa Loa (eye worm) hypothetical protein 0.0006 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0021 0.0042
Loa Loa (eye worm) RecQ helicase 0.0024 0.056 0.056
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.056 0.056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0199 0.0199
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0012 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0199 0.0392
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0199 0.0117
Loa Loa (eye worm) acetyltransferase 0.0175 0.5219 0.5219
Echinococcus multilocularis musashi 0.0033 0.0827 0.1584
Onchocerca volvulus 0.0033 0.0827 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0021 0.0021
Brugia malayi hypothetical protein 0.0006 0.0021 0.0021
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0199 0.0392
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0199 0.0381
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.056 0.056
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.1409 0.1253
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0199 0.0199
Echinococcus granulosus G protein coupled receptor kinase 1 0.01 0.2914 0.5751
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0012 0.0179 0.0179
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.056 0.0388
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0199 0.0381
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0827 0.0827
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0199 0.0199
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0199 0.2405
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.1277 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3271 0.3271
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0021 0.0041
Echinococcus multilocularis axis inhibition protein axin 0.0012 0.0179 0.0344
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0199 0.0199
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0199 0.0381
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0199 0.0199
Echinococcus granulosus beta-adrenergic receptor kinase 0.0112 0.3271 0.6455
Echinococcus multilocularis regulator of G protein signaling 3 0.0012 0.0179 0.0344
Schistosoma mansoni regulator of G protein signaling 0.0012 0.0179 0.0179
Echinococcus multilocularis Regulator of G protein signaling 20 0.0012 0.0179 0.0344
Treponema pallidum ATP-dependent DNA helicase 0.0012 0.0199 0.5
Brugia malayi A-kinase anchor protein 10, precursor 0.0012 0.0179 0.0179
Echinococcus granulosus regulator of G protein signaling 3 0.0012 0.0179 0.0354
Loa Loa (eye worm) hypothetical protein 0.0016 0.0307 0.0307
Brugia malayi Regulator of G protein signaling domain containing protein 0.0012 0.0179 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0006 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.1409 1
Brugia malayi PXA domain containing protein 0.0012 0.0179 0.0179
Echinococcus multilocularis beta adrenergic receptor kinase 0.0112 0.3271 0.6268
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0199 0.0199
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0199 0.2405
Schistosoma mansoni blooms syndrome DNA helicase 0.0012 0.0184 0.0184
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.056 0.0388
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0199 0.0199
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0199 0.0392
Schistosoma mansoni axis inhibition protein axin 0.0012 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0033 0.0827 0.0827
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0199 0.0392
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0199 0.0199
Schistosoma mansoni serine/threonine protein kinase 0.0012 0.0188 0.0188
Schistosoma mansoni lamin 0.0033 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus multilocularis axis inhibition protein axin 0.0012 0.0179 0.0344
Echinococcus granulosus bloom syndrome protein 0.0024 0.056 0.1106
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0199 0.0199
Echinococcus multilocularis expressed protein 0.0012 0.0179 0.0344
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.1409 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0199 0.0199
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0199 0.0392
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Schistosoma mansoni regulator of G protein signaling 0.0012 0.0179 0.0179
Schistosoma mansoni coup transcription factor 0.0012 0.0199 0.0199
Echinococcus multilocularis regulator of G protein signaling 3 0.0012 0.0179 0.0344
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0024 0.056 1
Brugia malayi steroid hormone receptor 0.0012 0.0199 0.0199
Entamoeba histolytica recQ family DNA helicase 0.0012 0.0199 0.0175
Schistosoma mansoni DNA helicase recq1 0.0024 0.056 0.056
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0199 0.0199
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0199 0.0199
Echinococcus granulosus axis inhibition protein axin 0.0012 0.0179 0.0354
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.1409 0.1253
Brugia malayi PXA domain containing protein 0.0012 0.0179 0.0179
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0184 0.0045
Brugia malayi ecdysteroid receptor 0.0012 0.0199 0.0199
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0199 0.0199
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0012 0.0179 0.0179
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.1277 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0024 0.056 0.056
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0199 0.0199
Schistosoma mansoni lamin 0.0033 0.0827 0.0827
Loa Loa (eye worm) glutaminase 2 0.033 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0199 0.0199
Schistosoma mansoni glutaminase 0.033 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0199 0.0381
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0021 0.0021
Trichomonas vaginalis glutaminase, putative 0.033 1 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.1277 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0199 0.0199
Loa Loa (eye worm) glutaminase 0.033 1 1
Loa Loa (eye worm) RGS-3 protein 0.0012 0.0179 0.0179
Brugia malayi Regulator of G protein signaling domain containing protein 0.0012 0.0179 0.0179
Brugia malayi nuclear receptor NHR-88 0.0012 0.0199 0.0199
Schistosoma mansoni axis inhibition protein axin 0.0012 0.0179 0.0179
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0021 0.0021
Schistosoma mansoni serine/threonine protein kinase 0.0112 0.3271 0.3271
Echinococcus multilocularis regulator of G protein signaling 7 0.0012 0.0179 0.0344
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0199 0.0392
Loa Loa (eye worm) hypothetical protein 0.0006 0.0021 0.0021
Entamoeba histolytica recQ family helicase, putative 0.0024 0.056 0.3471
Schistosoma mansoni intermediate filament proteins 0.0033 0.0827 0.0827
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0199 0.0199
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0012 0.0179 0.0179
Echinococcus granulosus regulator of G protein signaling 7 0.0012 0.0179 0.0354
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0307 0.0588
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.036 0.036
Echinococcus granulosus lamin 0.0033 0.0827 0.1631
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0199 0.0199
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0112 0.3271 0.3271
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0024 0.056 0.1074
Echinococcus granulosus regulator of G protein signaling 3 0.0012 0.0179 0.0354
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0012 0.0199 0.0117
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0012 0.0179 0.0179
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0199 0.0199
Schistosoma mansoni regulator of G protein signaling 0.0012 0.0179 0.0179
Echinococcus multilocularis bloom syndrome protein 0.0024 0.056 0.1074
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0199 0.0392
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.1409 0.2781
Echinococcus multilocularis regulator of G protein signaling 7 0.0012 0.0179 0.0344
Brugia malayi nuclear receptor RXR 0.0006 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0179 0.0179
Brugia malayi regulator of G-protein signaling rgs-7 0.0012 0.0179 0.0179
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0024 0.056 0.1106
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0199 0.0199
Onchocerca volvulus 0.0033 0.0827 1
Brugia malayi intermediate filament protein 0.0033 0.0827 0.0827
Loa Loa (eye worm) hypothetical protein 0.0015 0.0289 0.0289
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0024 0.056 0.1074
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0199 0.0199
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0199 0.0199
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0199 0.0199
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0012 0.0188 0.0188
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0199 0.0199
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0024 0.056 0.056
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0021 0.0021
Echinococcus granulosus expressed protein 0.0012 0.0179 0.0354
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0021 0.0021
Brugia malayi nuclear hormone receptor 0.0012 0.0199 0.0199
Echinococcus multilocularis regulator of G protein signaling 0.0012 0.0179 0.0344
Loa Loa (eye worm) hypothetical protein 0.0012 0.0199 0.0199
Echinococcus multilocularis lamin 0.0033 0.0827 0.1584
Brugia malayi hypothetical protein 0.0012 0.0179 0.0179
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0199 0.0381
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.036 0.036
Echinococcus multilocularis lamin dm0 0.0033 0.0827 0.1584
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0199 0.0199
Echinococcus granulosus intermediate filament protein 0.0033 0.0827 0.1631
Brugia malayi regulator of G-protein signaling egl-10 0.0012 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0006 0.0021 0.0021

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 6.564 uM PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, Powder Set1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488855] ChEMBL. No reference
Potency (functional) 0.0033 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) 0.2936 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 0.631 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) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 56.2341 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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