Detailed information for compound 1485677

Basic information

Technical information
  • TDR Targets ID: 1485677
  • Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2 -[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl] acetamide
  • MW: 485.02 | Formula: C20H25ClN4O4S2
  • H donors: 2 H acceptors: 6 LogP: 3.74 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)nc(c1)O
  • InChi: 1S/C20H25ClN4O4S2/c1-2-6-14-11-18(26)24-20(22-14)30-13-19(27)23-17-12-15(7-8-16(17)21)31(28,29)25-9-4-3-5-10-25/h7-8,11-12H,2-6,9-10,13H2,1H3,(H,23,27)(H,22,24,26)
  • InChiKey: INDLGBAAORKQJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
  • N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
  • N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide
  • N-(2-chloro-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
  • T0518-5726

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica recQ family helicase, putative 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
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase 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
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
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni DNA helicase recq1 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
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi DNA polymerase eta, putative 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
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase 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
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum ATP-dependent DNA helicase Q1 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein 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
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
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
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
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
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, 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
Loa Loa (eye worm) hypothetical 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
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi MH1 domain containing protein 0.001 0.0188 0.0189
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Leishmania major DNA polymerase eta, putative 0.0038 0.1607 0.6568
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1881 0.1726
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.2416 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0654 0.0475
Leishmania major DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0867 0.579
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.2416 0.342
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0654 0.0475
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0188 0.0187
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1881 0.1726
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0346
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0668 0.416
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.0692
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6955 0.9874
Entamoeba histolytica hypothetical protein 0.0043 0.1881 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Brugia malayi isocitrate dehydrogenase 0.0019 0.0654 0.0865
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0654 0.2529
Entamoeba histolytica hypothetical protein 0.0043 0.1881 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.1762
Echinococcus multilocularis dna polymerase eta 0.0054 0.2416 0.2271
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0867 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0654 0.0475
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0296 0.011
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.1762
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0654 0.0475
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0188 0.0187
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.0296 0.2596
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0867 0.1174
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0296 0.011
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0654 0.6496
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.1887
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0867 0.1159
Schistosoma mansoni smad 0.001 0.0188 0.0188
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0654 0.0654
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.3432
Loa Loa (eye worm) hypothetical protein 0.0146 0.7043 1
Leishmania major DNA polymerase eta, putative 0.0054 0.2416 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0654 0.0865
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.1887
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0867 0.0692
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0654 0.2529
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0654 0.0854
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0473 0.2514
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0867 0.0867
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.3432
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0867 0.4607
Loa Loa (eye worm) hypothetical protein 0.0054 0.2416 0.3377
Trypanosoma brucei unspecified product 0.0016 0.0502 0.1887
Echinococcus multilocularis bloom syndrome protein 0.0029 0.1153 0.0984
Brugia malayi MH2 domain containing protein 0.001 0.0188 0.0189
Loa Loa (eye worm) RecQ helicase 0.0029 0.1153 0.1569
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0188
Brugia malayi MH2 domain containing protein 0.001 0.0188 0.0189
Brugia malayi MH1 domain containing protein 0.001 0.0188 0.0189
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0867 0.3432
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0188
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0654 0.2529
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0654 0.0475
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0867 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0654 0.2529
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.1153 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0188 0.0188
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0867 0.0692
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.2416 1
Schistosoma mansoni hypothetical protein 0.0043 0.1881 0.1881
Giardia lamblia DINP protein human, muc B family 0.0023 0.0867 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6955 0.9874
Giardia lamblia Sgs1 DNA helicase, putative 0.0012 0.0296 0.2945
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Schistosoma mansoni hypothetical protein 0.0205 1 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0057 0.0355
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0867 0.3432
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0296 0.011
Trypanosoma brucei unspecified product 0.0016 0.0502 0.1887
Entamoeba histolytica hypothetical protein 0.0043 0.1881 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0867 0.579
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0654 0.4069
Brugia malayi MH2 domain containing protein 0.0144 0.6955 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0654 0.0475
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Echinococcus granulosus dna polymerase kappa 0.0023 0.0867 0.0692
Schistosoma mansoni DNA polymerase eta 0.0054 0.2416 0.2416
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0654 0.2529
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.184
Echinococcus granulosus dna polymerase eta 0.0054 0.2416 0.2271
Echinococcus granulosus bloom syndrome protein 0.0029 0.1153 0.0984
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1881 0.1881
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1607 0.6568
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.1153 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.184
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0654 0.9578
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0502 0.1887
Brugia malayi hypothetical protein 0.0043 0.1881 0.2645
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0296 0.0346
Brugia malayi Smad1 0.001 0.0188 0.0189
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0867 0.0867
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.1153 0.1589
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0057 0.0057
Entamoeba histolytica hypothetical protein 0.0043 0.1881 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0846 0.0846
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0188 0.0188
Schistosoma mansoni Smad4 0.001 0.0188 0.0188
Echinococcus multilocularis geminin 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0296 0.0341
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0296 0.0341
Trypanosoma brucei unspecified product 0.0023 0.0867 0.3432
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0057 0.0355
Loa Loa (eye worm) Smad1 0.001 0.0188 0.0187
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0976 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.0296 0.0296
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0473 0.1762
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1607 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0654 0.4069
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0867 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.068 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0867 0.3432
Schistosoma mansoni DNA helicase recq5 0.0012 0.0296 0.0296
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0296 0.011

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 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) 6.5131 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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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