Detailed information for compound 1322008

Basic information

Technical information
  • TDR Targets ID: 1322008
  • Name: 1-(4,6-dimethylpyrimidin-2-yl)-2-(1-phenyleth yl)guanidine
  • MW: 269.345 | Formula: C15H19N5
  • H donors: 2 H acceptors: 2 LogP: 2.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NC(c1ccccc1)C)Nc1nc(C)cc(n1)C
  • InChi: 1S/C15H19N5/c1-10-9-11(2)18-15(17-10)20-14(16)19-12(3)13-7-5-4-6-8-13/h4-9,12H,1-3H3,(H3,16,17,18,19,20)
  • InChiKey: AJTBWVSZFCBVQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4,6-dimethyl-2-pyrimidinyl)-2-(1-phenylethyl)guanidine
  • SMR000280921
  • EU-0040535
  • BAS 01306660
  • N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-(1-phenyl-ethyl)-guanidine
  • STK073580
  • MLS000711154

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense 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
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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 multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin 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 japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus 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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0056 0.0001
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0295 0.5143 0.5116
Echinococcus granulosus Nuclear hormone receptor HR96 0.0263 0.456 0.453
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0263 0.456 0.453
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0134 0.0079
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0558 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0134 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0263 0.456 0.453
Schistosoma mansoni retinoic acid receptor RXR 0.0558 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0134 0.0079
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0263 0.456 0.453
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0134 0.0079
Echinococcus granulosus thyroid hormone receptor alpha 0.0263 0.456 0.453
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0134 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0815 0.0791
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Brugia malayi Nuclear hormone receptor E75 0.0263 0.456 0.4547
Schistosoma mansoni nuclear receptor 0.0263 0.456 0.453
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0134 0.5
Onchocerca volvulus 0.0558 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0558 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0295 0.5143 0.5116
Brugia malayi nuclear receptor NHR-88 0.0263 0.456 0.4547
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0056 0.0001
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0558 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.0305 0.0251
Brugia malayi hypothetical protein 0.0263 0.456 0.4547
Echinococcus granulosus dna polymerase kappa 0.0023 0.0134 0.0079
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0558 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0134 0.0108
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0056 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0558 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0263 0.456 0.453
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0056 0.003
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0134 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Brugia malayi orphan nuclear receptor NR2E1 0.0263 0.456 0.4547
Schistosoma mansoni nuclear hormone receptor 0.0263 0.456 0.453
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0263 0.456 0.4547
Echinococcus granulosus dna polymerase eta 0.0023 0.0134 0.0079
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Schistosoma mansoni nuclear receptor 0.0263 0.456 0.453
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0558 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0056 0.0001
Brugia malayi Nuclear hormone receptor-like 1 0.0558 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0558 1 1
Echinococcus multilocularis musashi 0.0033 0.0305 0.0251
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0558 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0056 0.4157
Trypanosoma brucei unspecified product 0.0023 0.0134 1
Echinococcus granulosus ecdysone induced protein 78C 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0305 0.028
Loa Loa (eye worm) hypothetical protein 0.0295 0.5143 0.5131
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0134 1
Schistosoma mansoni coup transcription factor 0.0558 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0558 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0463 0.0439
Echinococcus multilocularis ecdysone induced protein 78C 0.0558 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0295 0.5143 0.5116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.003
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0263 0.456 0.453
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0263 0.456 0.453
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0055 0.003
Brugia malayi nuclear receptor NHR-88 0.0558 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0263 0.456 0.453
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0263 0.456 0.439
Loa Loa (eye worm) hypothetical protein 0.0032 0.0294 0.0269
Schistosoma mansoni intermediate filament proteins 0.0033 0.0305 0.0251
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0815 0.0791
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0134 1
Echinococcus granulosus FTZ F1 alpha 0.0558 1 1
Brugia malayi steroid hormone receptor 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0558 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0305 0.028
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0558 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0263 0.456 0.453
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0134 0.0108
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0558 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0056 0.4157
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0263 0.456 0.453
Giardia lamblia DINP protein human, muc B family 0.0023 0.0134 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0295 0.5143 0.5131
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0056 0.0001
Schistosoma mansoni nuclear hormone receptor 0.0263 0.456 0.453
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0558 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0295 0.5143 0.5131
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0558 1 1
Brugia malayi hypothetical protein 0.0295 0.5143 0.5131
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0558 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0263 0.456 0.4547
Brugia malayi Nuclear hormone receptor E75 0.0263 0.456 0.4547
Brugia malayi ecdysone receptor 0.0263 0.456 0.4547
Schistosoma mansoni hypothetical protein 0.0205 0.3481 0.3445
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0558 1 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0134 0.0079
Echinococcus granulosus lamin 0.0033 0.0305 0.0251
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0558 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0134 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.0134 0.0079
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0305 0.028
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0134 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0558 1 1
Leishmania major DNA polymerase eta, putative 0.0023 0.0134 1
Brugia malayi tailless protein 0.0263 0.456 0.4547
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Brugia malayi nuclear receptor RXR 0.0295 0.5143 0.5131
Loa Loa (eye worm) hypothetical protein 0.0295 0.5143 0.5131
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0558 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0558 1 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0055 0.003
Onchocerca volvulus 0.0263 0.456 0.439
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0056 0.0001
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0558 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0558 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0056 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0558 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0558 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0263 0.456 0.453
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Schistosoma mansoni nuclear hormone receptor 0.0558 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0463 0.041
Brugia malayi nuclear receptor RXR 0.0263 0.456 0.4547
Echinococcus multilocularis lamin 0.0033 0.0305 0.0251
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0558 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0134 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0558 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0134 1
Schistosoma mansoni hypothetical protein 0.0205 0.3481 0.3445
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0134 1
Brugia malayi conserved hypotetical protein 0.0263 0.456 0.4547
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0056 0.5
Loa Loa (eye worm) DR-78 0.0263 0.456 0.4547
Brugia malayi nuclear hormone receptor 0.0263 0.456 0.4547
Echinococcus multilocularis geminin 0.0205 0.3481 0.3445
Loa Loa (eye worm) hypothetical protein 0.0295 0.5143 0.5131
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0056 0.5
Onchocerca volvulus 0.0263 0.456 0.439
Schistosoma mansoni lamin 0.0033 0.0305 0.0251
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0134 1
Schistosoma mansoni thyroid hormone receptor 0.0558 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0263 0.456 0.4547
Brugia malayi nuclear hormone receptor family member odr-7 0.0263 0.456 0.4547
Loa Loa (eye worm) hypothetical protein 0.0295 0.5143 0.5131
Loa Loa (eye worm) hypothetical protein 0.0263 0.456 0.4547
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0558 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0056 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0463 0.0439
Loa Loa (eye worm) nuclear receptor NHR-67 0.0263 0.456 0.4547
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0295 0.5143 0.5131
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0134 0.0079
Brugia malayi photoreceptor-specific nuclear receptor 0.0558 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0558 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0134 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0558 1 1
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0558 1 1
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0056 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0558 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0134 0.0108
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0558 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0263 0.456 0.453
Loa Loa (eye worm) hypothetical protein 0.0023 0.0134 0.0108
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0815 0.0791
Schistosoma mansoni lamin 0.0033 0.0305 0.0251
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0558 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0558 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0815 0.0791
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0134 0.5
Echinococcus granulosus geminin 0.0205 0.3481 0.3445
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0263 0.456 0.4547
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Schistosoma mansoni zinc finger protein 0.0263 0.456 0.453
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0134 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0305 0.028
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0558 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0263 0.456 0.439
Loa Loa (eye worm) hypothetical protein 0.0295 0.5143 0.5131
Echinococcus granulosus lamin dm0 0.0033 0.0305 0.0251
Schistosoma mansoni thyroid hormone receptor 0.0558 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0056 0.0001
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0558 1 1
Brugia malayi intermediate filament protein 0.0033 0.0305 0.028
Brugia malayi nuclear hormone receptor 0.0558 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0055 0.003
Brugia malayi isocitrate dehydrogenase 0.0019 0.0056 0.003
Schistosoma mansoni DNA polymerase eta 0.0023 0.0134 0.0079
Brugia malayi hypothetical protein 0.0263 0.456 0.4547
Onchocerca volvulus Bile acid receptor homolog 0.0558 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0134 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0558 1 1
Brugia malayi hypothetical protein 0.0295 0.5143 0.5131
Brugia malayi nuclear receptor NHR-67 0.0263 0.456 0.4547
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0263 0.456 0.453
Loa Loa (eye worm) hypothetical protein 0.0558 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0134 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0263 0.456 0.453
Echinococcus granulosus intermediate filament protein 0.0033 0.0305 0.0251
Schistosoma mansoni RAR-like nuclear receptor 0.0558 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0558 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0134 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0134 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0295 0.5143 0.5116
Loa Loa (eye worm) hypothetical protein 0.0558 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 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) 25.1189 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) 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) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (binding) 158.4893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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