Detailed information for compound 1419670

Basic information

Technical information
  • TDR Targets ID: 1419670
  • Name: 3-hydroxy-5-(4-hydroxyphenyl)-1-(6-methyl-1,3 -benzothiazol-2-yl)-4-(5-methylfuran-2-carbon yl)-5H-pyrrol-2-one
  • MW: 446.475 | Formula: C24H18N2O5S
  • H donors: 2 H acceptors: 5 LogP: 5.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C1C(=C(C(=O)N1c1sc2c(n1)ccc(c2)C)O)C(=O)c1ccc(o1)C
  • InChi: 1S/C24H18N2O5S/c1-12-3-9-16-18(11-12)32-24(25-16)26-20(14-5-7-15(27)8-6-14)19(22(29)23(26)30)21(28)17-10-4-13(2)31-17/h3-11,20,27,29H,1-2H3
  • InChiKey: OGACSBPYQLLQNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-5-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[(5-methyl-2-furyl)-oxomethyl]-5H-pyrrol-2-one
  • 3-hydroxy-5-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-carbonyl)-3-pyrrolin-2-one
  • 3-hydroxy-5-(4-hydroxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(5-methylfuran-2-yl)carbonyl-5H-pyrrol-2-one
  • BAS 05887294

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens sirtuin 5 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) Get druggable targets OG5_127825 All targets in OG5_127825
Toxoplasma gondii histone deacetylase SIR2 Get druggable targets OG5_127825 All targets in OG5_127825
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Transcriptional regulatory protein Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K01463 sirtuin 5 (silent mating type information regulation 2 homolog) 5 [EC:3.5.1.-], putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127825 All targets in OG5_127825
Plasmodium berghei transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Transcriptional regulator, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi transcriptional regulatory protein sir2 homologue, putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii transcriptional regulatory protein, Sir2 family Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum transcriptional regulatory protein sir2a Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma congolense Silent information regulator 2 related protein 3 Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei gambiense NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Candida albicans similar to archaebacterial Sir2 family protein Get druggable targets OG5_127825 All targets in OG5_127825
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans NAD-dependent deacetylase Get druggable targets OG5_127825 All targets in OG5_127825
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum NAD-dependent deacetylase, putative Get druggable targets OG5_127825 All targets in OG5_127825
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127825 All targets in OG5_127825
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe Get druggable targets OG5_127825 All targets in OG5_127825
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma brucei SIR2-like protein 4, putative sirtuin 5 292 aa 272 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0019 0.0146 0.0113
Echinococcus multilocularis nibrin 0.0019 0.0146 0.0185
Toxoplasma gondii histone deacetylase SIR2-like 0.002 0.0154 0.083
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5976 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Echinococcus multilocularis mothers against decapentaplegic 2 0.0014 0.0033 0.0021
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0407 0.3334
Schistosoma mansoni hypothetical protein 0.0112 0.2174 0.3135
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0407 0.3767
Loa Loa (eye worm) MH2 domain-containing protein 0.0032 0.0421 0.0389
Plasmodium vivax replication factor C subunit 1, putative 0.0019 0.0146 0.0709
Schistosoma mansoni tar DNA-binding protein 0.0328 0.6896 1
Echinococcus granulosus nibrin 0.0019 0.0146 0.0185
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0154 0.0121
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0407 0.3767
Loa Loa (eye worm) MH2 domain-containing protein 0.047 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.0662
Echinococcus multilocularis replication factor c subunit 1 0.0019 0.0146 0.0185
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0386 0.3569
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0407 0.3767
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.0662
Loa Loa (eye worm) MH1 domain-containing protein 0.0032 0.0421 0.0389
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.018 0.037
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.2174 0.3135
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.023 0.0307
Echinococcus granulosus TGF beta signal transducer SmadC 0.0032 0.0421 0.0584
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.023 0.0307
Onchocerca volvulus 0.0154 0.3088 0.5141
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0134 0.0167
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.023 0.2126
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.002 0.0154 0.0197
Chlamydia trachomatis DNA ligase 0.0019 0.0146 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0902 0.0872
Echinococcus multilocularis mothers against decapentaplegic 6 0.0014 0.0033 0.0021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0928 0.0898
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0407 0.3334
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Schistosoma mansoni DNA ligase IV 0.0019 0.0146 0.0185
Brugia malayi MH2 domain containing protein 0.0032 0.0421 0.0389
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0407 0.0375
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0407 0.0565
Brugia malayi hypothetical protein 0.0154 0.3088 0.3065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0928 0.1322
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0146 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0508 0.0712
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0407 0.2084
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0019 0.0146 0.1348
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0508 0.4336
Giardia lamblia Sirtuin type 2 0.002 0.0154 0.0089
Schistosoma mansoni Smad4 0.0032 0.0421 0.0584
Echinococcus granulosus chromatin regulatory protein sir2 0.002 0.0154 0.0197
Echinococcus multilocularis GPCR, family 2 0.0112 0.2174 0.3135
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.2174 0.3135
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0407 0.0565
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0355 0.7477 0.7468
Brugia malayi isocitrate dehydrogenase 0.0031 0.0407 0.0375
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.023 0.0307
Echinococcus multilocularis dna polymerase eta 0.0054 0.0902 0.1285
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0032 0.0421 0.0584
Leishmania major DNA polymerase kappa, putative 0.0023 0.023 0.2126
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.023 0.0307
Echinococcus multilocularis dna polymerase kappa 0.0023 0.023 0.0307
Loa Loa (eye worm) hypothetical protein 0.0018 0.0107 0.0075
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.002 0.0154 0.0197
Toxoplasma gondii histone deacetylase SIR2 0.0062 0.1081 1
Loa Loa (eye worm) transcriptional regulator 0.002 0.0154 0.0121
Brugia malayi Calcitonin receptor-like protein seb-1 0.0355 0.7477 0.7468
Leishmania major DNA polymerase eta, putative 0.0054 0.0902 0.8349
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.002 0.0154 0.1425
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0386 0.2567
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.002 0.0154 0.1425
Brugia malayi hypothetical protein 0.002 0.015 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0328 0.6896 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.3088 0.3065
Schistosoma mansoni tar DNA-binding protein 0.0328 0.6896 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Echinococcus granulosus dna polymerase eta 0.0054 0.0902 0.1285
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Brugia malayi Pre-SET motif family protein 0.0251 0.5216 0.52
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0244 0.0408
Trypanosoma brucei unspecified product 0.0023 0.023 0.2126
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Brugia malayi MH1 domain containing protein 0.0018 0.0107 0.0075
Echinococcus multilocularis Smad4 0.0032 0.0421 0.0584
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0479 0.067
Echinococcus granulosus smad 0.0032 0.0421 0.0584
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0928 0.1322
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0146 0.1348
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0019 0.0146 0.1348
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.023 0.0385
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0551 0.5098
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0386 0.3569
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.023 0.2126
Loa Loa (eye worm) transcriptional regulator 0.002 0.0154 0.0121
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0019 0.0146 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0508 0.0712
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0032 0.0421 0.0584
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.023 0.2126
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.2174 0.2148
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.002 0.0154 0.1425
Schistosoma mansoni Smad4 0.0014 0.0033 0.0021
Schistosoma mansoni smad1 5 8 and 0.0032 0.0421 0.0584
Onchocerca volvulus 0.0019 0.0146 0.0189
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.2174 0.3135
Brugia malayi hypothetical protein 0.003 0.0386 0.0354
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Brugia malayi Pre-SET motif family protein 0.0036 0.0508 0.0477
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0355 0.7477 0.7468
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.2174 0.2148
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0928 0.1322
Brugia malayi MH2 domain containing protein 0.0032 0.0421 0.0389
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0146 0.0244
Schistosoma mansoni topbp1 0.0019 0.0146 0.0185
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0508 0.0712
Schistosoma mansoni topbp1 0.0019 0.0146 0.0185
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1081 0.1809
Treponema pallidum DNA ligase (lig) 0.0019 0.0146 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0407 0.3767
Echinococcus granulosus GPCR family 2 0.0112 0.2174 0.3135
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.002 0.0154 0.0197
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0407 0.0375
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0062 0.1081 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0062 0.1081 1
Giardia lamblia Hypothetical protein 0.002 0.0154 0.0089
Toxoplasma gondii ATPase, AAA family protein 0.0019 0.0146 0.0748
Loa Loa (eye worm) hypothetical protein 0.0242 0.5022 0.5006
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0902 0.8349
Echinococcus granulosus tar DNA binding protein 0.0328 0.6896 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.023 0.0307
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0928 0.0898
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.023 0.2126
Brugia malayi hypothetical protein 0.0019 0.0146 0.0113
Plasmodium vivax SET domain protein, putative 0.0036 0.0508 0.4313
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Loa Loa (eye worm) nuclear factor I 0.0018 0.0107 0.0075
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1081 0.1809
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0244 0.0212
Loa Loa (eye worm) hypothetical protein 0.002 0.0154 0.0121
Onchocerca volvulus 0.0286 0.5976 1
Loa Loa (eye worm) RNA binding protein 0.0328 0.6896 0.6885
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0062 0.1081 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0146 0.0244
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0508 0.0712
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0146 0.0244
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.023 0.0197
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0386 0.3123
Echinococcus multilocularis tar DNA binding protein 0.0328 0.6896 1
Schistosoma mansoni smad1 5 8 and 0.0032 0.0421 0.0584
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.023 0.0899
Loa Loa (eye worm) hypothetical protein 0.0019 0.0138 0.0105
Loa Loa (eye worm) RecQ helicase 0.0024 0.0244 0.0212
Trichomonas vaginalis replication factor C large subunit, putative 0.0019 0.0146 0.0244
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.023 0.2126
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.2174 0.3135
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.023 0.0197
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Brugia malayi Latrophilin receptor protein 2 0.0112 0.2174 0.2148
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.002 0.0154 0.0197
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0407 0.0565
Echinococcus granulosus mothers against decapentaplegic 5 0.0032 0.0421 0.0584
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0407 0.0565
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0062 0.1081 1
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Echinococcus granulosus mothers against decapentaplegic 6 0.0014 0.0033 0.0021
Trypanosoma brucei unspecified product 0.0016 0.0072 0.0662
Echinococcus multilocularis mothers against decapentaplegic 5 0.0032 0.0421 0.0584
Plasmodium vivax hypothetical protein, conserved 0.002 0.0154 0.0792
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0902 0.8349
Onchocerca volvulus 0.0036 0.0508 0.08
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0928 0.1322
Loa Loa (eye worm) sirtuin 4 0.002 0.0154 0.0121
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0386 0.3569
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0407 0.3767
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0407 0.0565
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0244 0.0328
Loa Loa (eye worm) transcriptional regulator 0.002 0.0154 0.0121
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.002 0.0154 0.0197
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0407 0.3306
Echinococcus granulosus bloom syndrome protein 0.0024 0.0244 0.0328
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0928 0.1322
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0146 0.0244
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.002 0.0154 0.0197
Mycobacterium ulcerans Sir2-like regulatory protein 0.002 0.0154 0.0089
Schistosoma mansoni tar DNA-binding protein 0.0328 0.6896 1
Loa Loa (eye worm) hypothetical protein 0.0355 0.7477 0.7468
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0328 0.6896 0.6885
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.023 0.0385
Trypanosoma brucei Silent information regulator 2 related protein 1 0.002 0.0154 0.1425
Schistosoma mansoni hypothetical protein 0.0112 0.2174 0.3135
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0902 0.0872
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Trypanosoma cruzi FHA domain containing protein, putative 0.0019 0.0146 0.1348
Schistosoma mansoni Smad4 0.0014 0.0033 0.0021
Schistosoma mansoni smad1 5 8 and 0.0032 0.0421 0.0584
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0062 0.1081 1
Brugia malayi RNA recognition motif domain containing protein 0.0328 0.6896 0.6885
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.023 0.2126
Loa Loa (eye worm) hypothetical protein 0.0019 0.0146 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0146 0.0244
Schistosoma mansoni hypothetical protein 0.0112 0.2174 0.3135
Entamoeba histolytica hypothetical protein, conserved 0.002 0.0154 0.1425
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0062 0.1081 1
Brugia malayi topoisomerase 0.0019 0.0146 0.0113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0508 0.0712
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0244 0.0408
Loa Loa (eye worm) Smad1 0.0032 0.0421 0.0389
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Brugia malayi NAD-dependent deacetylase SIRT1 0.002 0.0154 0.0121
Brugia malayi latrophilin 2 splice variant baaae 0.0242 0.5022 0.5006
Loa Loa (eye worm) hypothetical protein 0.0112 0.2174 0.2148
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0154 0.0121
Brugia malayi transcriptional regulator, Sir2 family protein 0.002 0.0154 0.0121
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0019 0.0146 0.0113
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0019 0.0146 0.0748
Giardia lamblia DINP protein human, muc B family 0.0023 0.023 0.0899
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0019 0.0146 0.1348
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0508 0.0712
Brugia malayi DKFZp564C0469 protein 0.0019 0.0146 0.0113
Trypanosoma cruzi hypothetical protein, conserved 0.0019 0.0146 0.1348
Echinococcus granulosus Smad4 0.0032 0.0421 0.0584
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.002 0.0154 0.0089
Schistosoma mansoni smad 0.0032 0.0421 0.0584
Loa Loa (eye worm) hypothetical protein 0.003 0.0386 0.0354
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.002 0.0154 0.1425
Brugia malayi Smad1 0.0032 0.0421 0.0389
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0407 0.2795
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0062 0.1081 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.023 0.2126
Schistosoma mansoni chromatin regulatory protein sir2 0.0062 0.1081 0.1545
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0551 0.4757
Brugia malayi MH1 domain containing protein 0.0018 0.0107 0.0075
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0407 0.0565
Loa Loa (eye worm) TAR-binding protein 0.0328 0.6896 0.6885
Mycobacterium ulcerans NAD-dependent deacetylase 0.0062 0.1081 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0146 0.0244
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0146 0.0244
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Schistosoma mansoni chromosome transmission fidelity factor 0.0019 0.0146 0.0185
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0062 0.1081 0.1809
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0928 0.1322
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Echinococcus multilocularis smad 0.0032 0.0421 0.0584
Mycobacterium leprae Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog) 0.0042 0.0647 1
Leishmania major hypothetical protein, conserved 0.003 0.0386 0.3569
Entamoeba histolytica hypothetical protein 0.0019 0.0146 0.1348
Trypanosoma brucei SIR2-like protein 4, putative 0.002 0.0154 0.1425
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0072 0.0662
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.023 0.0899
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.002 0.0154 0.0197
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.023 0.2126
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.023 0.2126
Brugia malayi MH1 domain containing protein 0.0032 0.0421 0.0389
Brugia malayi RNA binding protein 0.0328 0.6896 0.6885
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.002 0.0154 0.0258
Echinococcus granulosus replication factor c subunit 1 0.0019 0.0146 0.0185
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0146 0.0244
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.023 0.2126
Schistosoma mansoni chromatin regulatory protein sir2 0.002 0.0154 0.0197
Schistosoma mansoni hypothetical protein 0.0242 0.5022 0.7276
Leishmania major sir2-family protein-like protein 0.002 0.0154 0.1425
Schistosoma mansoni smad 0.0014 0.0033 0.0021
Echinococcus granulosus mothers against decapentaplegic 2 0.0014 0.0033 0.0021
Schistosoma mansoni DNA polymerase eta 0.0054 0.0902 0.1285
Schistosoma mansoni hypothetical protein 0.0112 0.2174 0.3135
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.002 0.0154 0.0197
Schistosoma mansoni tar DNA-binding protein 0.0328 0.6896 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0386 0.3094
Brugia malayi MH1 domain containing protein 0.0032 0.0421 0.0389
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5216 0.52
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0407 0.0565
Trypanosoma brucei unspecified product 0.0016 0.0072 0.0662
Echinococcus multilocularis chromatin regulatory protein sir2 0.002 0.0154 0.0197
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0508 0.0712
Leishmania major silent information regulator 2, putative 0.002 0.0154 0.1425
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0062 0.1081 1
Loa Loa (eye worm) transcription factor SMAD2 0.047 1 1
Leishmania major DNA polymerase eta, putative 0.0038 0.0551 0.5098
Brugia malayi TAR-binding protein 0.0328 0.6896 0.6885
Brugia malayi Pax transcription activation domain interacting protein 0.0019 0.0146 0.0113
Plasmodium falciparum transcriptional regulatory protein sir2b 0.002 0.0154 0.0089
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.002 0.0154 0.1425
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0386 0.2567
Giardia lamblia Transcriptional regulator, Sir2 family 0.0062 0.1081 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0928 0.1322

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 15.13 uM PubChem BioAssay. MLPCN SirT-5 Measured in Biochemical System Using Imaging - 7044-01_Inhibitor_Dose_CherryPick_Activity_Set5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0053 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 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) 2.8184 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) 4.4668 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.9349 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 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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