Detailed information for compound 1312366

Basic information

Technical information
  • TDR Targets ID: 1312366
  • Name: methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carb amoyl]-5-nitrobenzoate
  • MW: 435.451 | Formula: C19H21N3O7S
  • H donors: 2 H acceptors: 6 LogP: 2.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C
  • InChi: 1S/C19H21N3O7S/c1-19(2,3)21-30(27,28)16-7-5-14(6-8-16)20-17(23)12-9-13(18(24)29-4)11-15(10-12)22(25)26/h5-11,21H,1-4H3,(H,20,23)
  • InChiKey: NDGOFPBWPXOGBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoate
  • 3-[[[4-(tert-butylsulfamoyl)phenyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester
  • 3-[[4-(tert-butylsulfamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester
  • STK021556
  • ZINC02818330
  • MLS000577871
  • SMR000197581
  • methyl 3-[({4-[(tert-butylamino)sulfonyl]phenyl}amino)carbonyl]-5-nitrobenzoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cpg binding protein 0.0037 0.0386 0.0386
Schistosoma mansoni hypothetical protein 0.0008 0.0043 0.0043
Echinococcus granulosus synaptojanin 1 0.0008 0.0043 0.0043
Plasmodium falciparum DNase I-like protein, putative 0.0008 0.0043 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Schistosoma mansoni cript-related 0.0008 0.0043 0.0043
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0008 0.0043 1
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0008 0.0043 1
Trichomonas vaginalis Phospholipase C precursor, putative 0.0008 0.0043 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0008 0.0043 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0048 0.0048
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0008 0.0043 1
Treponema pallidum hypothetical protein 0.0008 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0257 0.3046 1
Schistosoma mansoni cpg binding protein 0.0035 0.0362 0.0362
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0008 0.0043 1
Echinococcus multilocularis synaptojanin 1 0.0008 0.0043 0.0043
Leishmania major RNA-editing complex protein MP100, putative 0.0008 0.0043 0.0516
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0008 0.0043 1
Schistosoma mansoni carbon catabolite repressor protein 0.0008 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0494 0.5904 0.5904
Brugia malayi CXXC zinc finger family protein 0.0035 0.0362 0.1189
Echinococcus granulosus expressed conserved protein 0.0249 0.2947 0.2947
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0008 0.0043 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0073 0.024
Giardia lamblia hypothetical protein 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5904 0.5904
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0043 0.014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0005 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0008 0.0043 1
Plasmodium vivax exodeoxyribonuclease III, putative 0.0008 0.0043 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0043 1
Echinococcus granulosus cpg binding protein 0.0037 0.0386 0.0386
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0008 0.0043 0.0043
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0008 0.0043 0.0516
Plasmodium vivax endonuclease/exonuclease/phosphatase domain containing protein 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Mycobacterium leprae Probable oxidoreductase 0.0005 0 0.5
Plasmodium vivax endonuclease/exonuclease/phosphatase domain containing protein 0.0008 0.0043 1
Trichomonas vaginalis ap endonuclease, putative 0.0008 0.0043 1
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0008 0.0043 0.0516
Leishmania major pantothenate kinase subunit, putative 0.0008 0.0043 0.0516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Trypanosoma cruzi mitochondrial protein 99, putative 0.0008 0.0043 1
Trypanosoma cruzi mitochondrial protein 99, putative 0.0008 0.0043 1
Mycobacterium tuberculosis Probable exported protein 0.0008 0.0043 0.0516
Echinococcus multilocularis conserved hypothetical protein 0.0249 0.2947 0.2947
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0039 0.9011
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0829 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0008 0.0043 1
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0008 0.0043 0.0043
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0008 0.0043 1
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Echinococcus granulosus traf and tnf receptor associated protein 0.0008 0.0043 0.0043
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0008 0.0043 0.0516
Schistosoma mansoni synaptojanin 0.0008 0.0043 0.0043
Echinococcus granulosus hypothetical protein 0.0249 0.2947 0.2947
Leishmania major hypothetical protein, conserved 0.0008 0.0043 0.0516
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0008 0.0043 0.0043
Brugia malayi exodeoxyribonuclease III family protein 0.0008 0.0043 0.014
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0008 0.0043 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0048 0.0048
Echinococcus multilocularis deoxyribonuclease 1 2 0.0008 0.0043 0.0043
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0008 0.0043 0.0043
Onchocerca volvulus Putative neutral sphingomyelinase 0.0257 0.3046 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0004 0.0004
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0008 0.0043 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0008 0.0043 0.0516
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0043 0.014
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0043 0.014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0073 0.0073
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0829 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0008 0.0043 1
Onchocerca volvulus 0.0008 0.0043 0.014
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0039 0.9011
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0008 0.0043 1
Echinococcus multilocularis expressed conserved protein 0.0249 0.2947 0.2947
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0362 0.1189
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Loa Loa (eye worm) hypothetical protein 0.0008 0.0043 0.014
Loa Loa (eye worm) hypothetical protein 0.0008 0.0043 0.014
Onchocerca volvulus 0.0008 0.0043 0.014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0008 0.0043 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0008 0.0043 0.0043
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0008 0.0043 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0072 0.0235
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0043 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0829 0.0829
Leishmania major hypothetical protein, conserved 0.0008 0.0043 0.0516
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0048 0.0048
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0008 0.0043 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0 0.5
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0043 0.0043
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0043 0.014
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0008 0.0043 0.0043
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0008 0.0043 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0829 1
Echinococcus granulosus neutral sphingomyelinase 0.0257 0.3046 0.3046
Trichomonas vaginalis helicase, putative 0.0008 0.0039 0.9011
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0008 0.0043 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0008 0.0043 1
Schistosoma mansoni cpg binding protein 0.0037 0.0386 0.0386
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0008 0.0043 1
Toxoplasma gondii exonuclease III APE 0.0008 0.0043 0.0516
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0008 0.0043 1
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0829 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0008 0.0043 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0008 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0043 0.014
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0829 0.0829
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0048 0.0048
Trichomonas vaginalis ap endonuclease, putative 0.0008 0.0043 1
Plasmodium falciparum exodeoxyribonuclease III, putative 0.0008 0.0043 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0737 0.889
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0008 0.0043 0.014
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0008 0.0043 0.0043
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0831 0.0831
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0008 0.0043 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Schistosoma mansoni nocturnin 0.0008 0.0043 0.0043
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0008 0.0043 0.014
Schistosoma mansoni synaptojanin 0.0008 0.0043 0.0043
Trypanosoma brucei RNA editing exonuclease 2 0.0008 0.0043 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0073 0.0073
Echinococcus multilocularis cpg binding protein 0.0037 0.0386 0.0386
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0008 0.0043 0.0043
Brugia malayi CCR4 0.0008 0.0043 0.014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0048 0.0048
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0257 0.3046 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0829 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0005 0 0.5
Plasmodium falciparum endonuclease/exonuclease/phosphatase family protein, putative 0.0008 0.0043 1
Schistosoma mansoni ap endonuclease 0.0008 0.0043 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0829 1
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0005 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0008 0.0043 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.9011
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0829 0.0829
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0008 0.0043 1
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0008 0.0043 0.0516
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 1
Leishmania major hypothetical protein, conserved 0.0008 0.0043 0.0516
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0008 0.0043 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0829 0.0829
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.9011
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0008 0.0043 0.0043
Onchocerca volvulus 0.0035 0.0362 0.1189
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5904 0.5904
Echinococcus multilocularis neutral sphingomyelinase 0.0257 0.3046 0.3046
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0008 0.0043 1
Leishmania major endonuclease/exonuclease protein-like protein 0.0008 0.0043 0.0516
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0008 0.0043 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0008 0.0043 0.014
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0008 0.0043 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0008 0.0043 0.0516
Schistosoma mansoni neutral sphingomyelinase 0.0257 0.3046 0.3046
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0008 0.0043 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0008 0.0043 0.014
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni ap endonuclease 0.0008 0.0043 0.0043
Giardia lamblia Inositol 5-phosphatase 4 0.0008 0.0043 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1 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) 2.6169 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) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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