Detailed information for compound 1256844

Basic information

Technical information
  • TDR Targets ID: 1256844
  • Name: but-2-enedioic acid; N-[[4-(2-cyanophenyl)pip erazin-1-yl]methyl]-3-methylbenzamide
  • MW: 450.487 | Formula: C24H26N4O5
  • H donors: 3 H acceptors: 6 LogP: 0.29 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C=C\C(=O)O.N#Cc1ccccc1N1CCN(CC1)CNC(=O)c1cccc(c1)C
  • InChi: 1S/C20H22N4O.C4H4O4/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21;5-3(6)1-2-4(7)8/h2-8,13H,9-12,15H2,1H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-
  • InChiKey: NAEUGRPISCANHO-BTJKTKAUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • but-2-enedioic acid; N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methyl-benzamide
  • but-2-enedioic acid; N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methylbenzamide
  • N-[[4-(2-Cyanophenyl)-1-piperazinyl]methyl]-3-methylbenzamide maleate salt
  • P233_SIGMA
  • PD 168,077 maleate salt
  • EU-0100969

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Bloom syndrome, RecQ helicase-like 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 thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 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
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 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
Plasmodium falciparum ADP-dependent DNA helicase RecQ 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
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA helicase recq1 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
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum ATP-dependent DNA helicase Q1 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative 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 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative 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
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Neospora caninum hypothetical protein 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 mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis ATP-dependent DNA helicase, RecQ family protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative 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
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
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
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0016 0.0259 0.0259
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.2215 0.2215
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.008 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.2793 0.2823
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.008 0.0081
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.008 0.0081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.008 0.0081
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0772 0.078
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0772 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0646 0.0653
Trypanosoma brucei unspecified product 0.0016 0.0277 0.0572
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.008 0.008
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0259 0.0262
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.008 0.0081
Echinococcus granulosus FTZ F1 alpha 0.0012 0.008 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0277 0.0572
Brugia malayi ecdysteroid receptor 0.0012 0.008 0.008
Echinococcus granulosus dna polymerase eta 0.0054 0.2215 0.2239
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.008 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.008 0.008
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1395 0.6012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.2793 0.2823
Loa Loa (eye worm) hypothetical protein 0.0015 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0207 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.008 0.0081
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.2793 0.2793
Loa Loa (eye worm) hypothetical protein 0.0054 0.2215 0.2215
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0347 0.0347
Schistosoma mansoni lamin 0.0033 0.1119 0.113
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.008 0.008
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.008 0.0081
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.008 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0277 0.0572
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.6664 0.6664
Echinococcus multilocularis geminin 0.0205 0.9895 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0646 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0646 0.2367
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.008 0.0081
Echinococcus multilocularis musashi 0.0033 0.1119 0.113
Loa Loa (eye worm) hypothetical protein 0.0033 0.1119 0.1119
Loa Loa (eye worm) hypothetical protein 0.0065 0.2793 0.2793
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0065 0.2793 0.2823
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0017 0.0336 0.2405
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.008 0.008
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0646 0.7948
Schistosoma mansoni hypothetical protein 0.0065 0.2793 0.2823
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.7212 0.7288
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.008 0.008
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.008 0.008
Leishmania major DNA polymerase eta, putative 0.0054 0.2215 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0259 0.0262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.008 0.008
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0772 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.008 0.0081
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0646 0.0653
Loa Loa (eye worm) RecQ helicase 0.0026 0.0772 0.0772
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Schistosoma mansoni hypothetical protein 0.0065 0.2793 0.2823
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.008 0.008
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.008 0.0081
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.008 0.0081
Echinococcus granulosus geminin 0.0205 0.9895 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.2215 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.2793 0.2823
Echinococcus granulosus lamin dm0 0.0033 0.1119 0.113
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.008 0.0081
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.008 0.008
Echinococcus multilocularis dna polymerase eta 0.0054 0.2215 0.2239
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.7212 0.7288
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0277 0.0572
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0646 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0646 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0347 0.0347
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1119 0.1119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.008 0.008
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0646 0.0653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Giardia lamblia DINP protein human, muc B family 0.0023 0.0646 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.008 0.008
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.008 0.008
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1395 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.008 0.0081
Brugia malayi nuclear receptor NHR-88 0.0012 0.008 0.008
Schistosoma mansoni hypothetical protein 0.0141 0.6664 0.6735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.008 0.008
Brugia malayi nuclear hormone receptor 0.0012 0.008 0.008
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.7834 0.7918
Schistosoma mansoni hypothetical protein 0.0205 0.9895 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.1119 0.113
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0646 0.2367
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Echinococcus granulosus intermediate filament protein 0.0033 0.1119 0.113
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0646 0.2367
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0646 0.0646
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1119 0.1119
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0646 0.7948
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0000000002471 0.0000000017707
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.008 0.0081
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0612 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.7834 0.7918
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.008 0.0081
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.008 0.008
Echinococcus multilocularis GPCR, family 2 0.0065 0.2793 0.2823
Onchocerca volvulus 0.0033 0.1119 1
Trypanosoma brucei unspecified product 0.0016 0.0277 0.0572
Brugia malayi steroid hormone receptor 0.0012 0.008 0.008
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0772 0.0772
Leishmania major DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.008 0.0081
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.008 0.008
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.008 0.0081
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0495 0.0501
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.008 0.0081
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.008 0.0081
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0646 0.0646
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0021 0.0506 0.0506
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Echinococcus multilocularis lamin dm0 0.0033 0.1119 0.113
Brugia malayi intermediate filament protein 0.0033 0.1119 0.1119
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.008 0.008
Leishmania major DNA polymerase eta, putative 0.0038 0.1395 0.6012
Schistosoma mansoni nuclear hormone receptor 0.0012 0.008 0.0081
Schistosoma mansoni coup transcription factor 0.0012 0.008 0.0081
Trypanosoma brucei unspecified product 0.0023 0.0646 0.2367
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0646 0.0653
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.2215 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1088 0.1088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1119 0.1119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.008 0.0081
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.008 0.008
Onchocerca volvulus 0.0033 0.1119 1
Schistosoma mansoni hypothetical protein 0.0065 0.2793 0.2823
Schistosoma mansoni hypothetical protein 0.0205 0.9895 1
Brugia malayi Latrophilin receptor protein 2 0.0065 0.2793 0.2793
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.008 0.008
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0646 0.0653
Echinococcus granulosus lamin 0.0033 0.1119 0.113
Echinococcus granulosus dna polymerase kappa 0.0023 0.0646 0.0653
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.008 0.0081
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0141 0.6664 0.6664
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0646 0.2367
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.008 0.008
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008
Echinococcus multilocularis lamin 0.0033 0.1119 0.113
Schistosoma mansoni lamin 0.0033 0.1119 0.113
Loa Loa (eye worm) hypothetical protein 0.0015 0.0229 0.0229
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.008 0.008
Echinococcus granulosus GPCR family 2 0.0065 0.2793 0.2823
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.2793 0.2823
Schistosoma mansoni DNA polymerase eta 0.0054 0.2215 0.2239
Echinococcus granulosus bloom syndrome protein 0.0026 0.0772 0.078
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0646 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0646 0.5
Schistosoma mansoni thyroid hormone receptor 0.0164 0.7834 0.7918
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.2793 0.2793
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.008 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0646 0.2367
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0017 0.0346 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.7212 0.7288
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.008 0.0081
Loa Loa (eye worm) hypothetical protein 0.0012 0.008 0.008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0008 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 0.0008 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Validation screen for small molecules that induce DNA re-replication in MCF 10A normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 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) = 35.4813 um PUBCHEM_BIOASSAY: Validation of Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 70.7946 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) = 95.2834 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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