Detailed information for compound 1432873

Basic information

Technical information
  • TDR Targets ID: 1432873
  • Name: N'-[(E)-(1-ethyl-4,6-dioxo-2-sulfanylidene-1, 3-diazinan-5-ylidene)methyl]benzohydrazide
  • MW: 318.351 | Formula: C14H14N4O3S
  • H donors: 3 H acceptors: 3 LogP: 1.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=S)NC(=O)/C(=C\NNC(=O)c2ccccc2)/C1=O
  • InChi: 1S/C14H14N4O3S/c1-2-18-13(21)10(12(20)16-14(18)22)8-15-17-11(19)9-6-4-3-5-7-9/h3-8,15H,2H2,1H3,(H,17,19)(H,16,20,22)/b10-8+
  • InChiKey: JULBIBNFMKJZNX-CSKARUKUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N'-[(E)-(1-ethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzohydrazide
  • N'-[(E)-(1-ethyl-4,6-dioxo-2-thioxo-5-hexahydropyrimidinylidene)methyl]benzohydrazide
  • N'-[(E)-(1-ethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzohydrazide
  • ZINC01299331
  • STOCK2S-54119
  • ZINC04859901
  • Benzoic acid N'-[1-ethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
  • MLS000767904
  • SMR000431226

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Brugia malayi RNA recognition motif domain containing protein 0.0518 0.5243 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0138 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0056
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0016 0.003
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0662 0.1236
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0099 0.2236
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0029 0.0026
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0078 0.0149
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0387 0.4601
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0029 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0056
Echinococcus granulosus GPCR family 2 0.0114 0.1076 0.203
Brugia malayi MH2 domain containing protein 0.0248 0.2463 0.4697
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0189
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0056
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0119 0.0201
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0056
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0078 0.0119
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0656 0.1252
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0029
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0029 0.0056
Brugia malayi hypothetical protein 0.0147 0.1423 0.2714
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0056
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0138 0.0263
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0114 0.1076 0.2051
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0099 0.0159
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0029 0.0097
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0099 0.1469
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0047 0.0387 0.5232
Echinococcus granulosus nibrin 0.0011 0.0016 0.0003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0636 0.1186
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0029 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0056
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0078 0.0149
Echinococcus granulosus Smad4 0.0017 0.0078 0.0122
Leishmania major hypothetical protein, conserved 0.0025 0.0157 0.0929
Brugia malayi latrophilin 2 splice variant baaae 0.0246 0.2436 0.4645
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Toxoplasma gondii isocitrate dehydrogenase 0.0047 0.0387 0.657
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.2463 0.4697
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0078 0.0122
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0099 0.0162
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0387 0.0373
Brugia malayi Isocitrate dehydrogenase 0.0047 0.0387 0.0738
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0047 0.0387 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0725 1
Schistosoma mansoni hypothetical protein 0.0114 0.1076 0.2027
Onchocerca volvulus 0.0035 0.0261 0.1743
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0047 0.0387 1
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0016 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0029 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0056
Brugia malayi hypothetical protein 0.0011 0.0016 0.003
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0138 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0029 0.0026
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0138 0.1718
Schistosoma mansoni tar DNA-binding protein 0.0518 0.5243 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0725 1
Schistosoma mansoni hypothetical protein 0.0114 0.1076 0.2027
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0656 0.1225
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0189
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0047 0.0387 0.0713
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0078 0.0064
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0029 0.0026
Brugia malayi MH1 domain containing protein 0.0017 0.0078 0.0149
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0099 0.117
Schistosoma mansoni hypothetical protein 0.0011 0.0017 0.0003
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0029
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0014 0.0027
Loa Loa (eye worm) RNA binding protein 0.0518 0.5243 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0099 0.117
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0029 0.0056
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0013 0.0024
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0029 0.0056
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0099 0.0085
Echinococcus granulosus cpg binding protein 0.0037 0.0282 0.0511
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0114 0.1076 0.1063
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0029 0.0026
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0138 0.3283
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0114 0.1076 0.1063
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0387 0.0373
Schistosoma mansoni smad1 5 8 and 0.0017 0.0078 0.0119
Brugia malayi hypothetical protein 0.0011 0.0016 0.003
Schistosoma mansoni smad 0.0017 0.0078 0.0119
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0725 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0029 0.0056
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0359 0.3608 0.688
Schistosoma mansoni hypothetical protein 0.0114 0.1076 0.2027
Echinococcus multilocularis cpg binding protein 0.0037 0.0282 0.0268
Schistosoma mansoni tar DNA-binding protein 0.0518 0.5243 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0029 0.0056
Onchocerca volvulus 0.0147 0.1423 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0029 0.0029
Brugia malayi jmjC domain containing protein 0.0071 0.0636 0.1213
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.199
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0029 0.0056
Schistosoma mansoni tar DNA-binding protein 0.0518 0.5243 1
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0099 0.0159
Toxoplasma gondii isocitrate dehydrogenase 0.0047 0.0387 0.657
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0047 0.0387 0.5232
Schistosoma mansoni Smad4 0.0017 0.0078 0.0119
Schistosoma mansoni hypothetical protein 0.0114 0.1076 0.2027
Schistosoma mansoni hypothetical protein 0.0246 0.2436 0.4629
Echinococcus multilocularis isocitrate dehydrogenase 0.0047 0.0387 0.0373
Onchocerca volvulus 0.0012 0.0029 0.0097
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0029 0.0026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0656 0.1225
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0157 0.199
Echinococcus multilocularis Smad4 0.0017 0.0078 0.0064
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0017 0.0006
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0725 0.1358
Brugia malayi nuclear receptor NHR-88 0.0012 0.0029 0.0056
Schistosoma mansoni cpg binding protein 0.0037 0.0282 0.0508
Loa Loa (eye worm) hypothetical protein 0.0147 0.1423 0.2714
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0099 0.0085
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0016 0.00000066216
Brugia malayi isocitrate dehydrogenase 0.0047 0.0387 0.0738
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0581 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0029 0.0026
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0099 0.0085
Brugia malayi MH2 domain containing protein 0.0017 0.0078 0.0149
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.3804
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0636 0.0623
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0157 0.199
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0056
Brugia malayi DKFZp564C0469 protein 0.0011 0.0016 0.003
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0029 0.0029
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0016 0.0002
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0138 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0016 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0725 1
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0099 0.0159
Brugia malayi Calcitonin receptor-like protein seb-1 0.0359 0.3608 0.688
Schistosoma mansoni smad1 5 8 and 0.0017 0.0078 0.0119
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0157 0.2499
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0015
Schistosoma mansoni cpg binding protein 0.0035 0.0261 0.0469
Echinococcus granulosus tar DNA binding protein 0.0518 0.5243 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0138 0.2157
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0119 0.0105
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0636 0.1189
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0189
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0359 0.3608 0.688
Echinococcus multilocularis tar DNA binding protein 0.0518 0.5243 0.5236
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0016 0.0003
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0379 0.0366
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0138 0.3283
Brugia malayi jmjC domain containing protein 0.0073 0.0656 0.1252
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0029 0.0026
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0189
Echinococcus granulosus geminin 0.0205 0.2013 0.3823
Loa Loa (eye worm) TAR-binding protein 0.0518 0.5243 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0029 0.0015
Loa Loa (eye worm) hypothetical protein 0.0246 0.2436 0.4645
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0017 0.0003
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0078 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0518 0.5243 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0157 0.3804
Schistosoma mansoni cpg binding protein 0.0037 0.0282 0.0508
Loa Loa (eye worm) hypothetical protein 0.0025 0.0157 0.03
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0029 0.0029
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0189
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0029 0.0026
Brugia malayi steroid hormone receptor 0.0012 0.0029 0.0056
Plasmodium vivax JmjC domain containing protein 0.0019 0.0099 0.2236
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0029 0.0056
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0656 0.1228
Brugia malayi Smad1 0.0017 0.0078 0.0149
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0189
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0138 0.0236
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0138 0.0124
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Echinococcus granulosus smad 0.0017 0.0078 0.0122
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0138 0.1718
Schistosoma mansoni coup transcription factor 0.0012 0.0029 0.0026
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0029 0.0097
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0387 0.5232
Loa Loa (eye worm) hypothetical protein 0.0359 0.3608 0.688
Schistosoma mansoni tar DNA-binding protein 0.0518 0.5243 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0029 0.0029
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0029 0.0056
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0138 1
Brugia malayi MH2 domain containing protein 0.0017 0.0078 0.0149
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0029 0.0015
Brugia malayi RNA binding protein 0.0518 0.5243 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0078 0.0119
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0725 0.1384
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0029 0.0056
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0047 0.0387 0.5232
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0029 0.0026
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0099 0.0085
Brugia malayi hypothetical protein 0.0016 0.0067 0.0128
Echinococcus multilocularis nibrin 0.0011 0.0016 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0029 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0029 0.0056
Brugia malayi CXXC zinc finger family protein 0.0035 0.0261 0.0498
Echinococcus multilocularis GPCR, family 2 0.0114 0.1076 0.1063
Brugia malayi jmjC domain containing protein 0.0019 0.0099 0.0189
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0029 0.0026
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0029 0.0026
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0379 0.0698
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0099 0.0162
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0138 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0138 0.1718
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0261 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0029 0.0056
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0029 0.0056
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Echinococcus multilocularis smad 0.0017 0.0078 0.0064
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0114 0.1076 0.203
Echinococcus granulosus phd:f box containing protein 0.0019 0.0099 0.0162
Loa Loa (eye worm) isocitrate dehydrogenase 0.0047 0.0387 0.0738
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0157 0.3804
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.2463 0.4697
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0138 0.0621
Brugia malayi MH1 domain containing protein 0.0017 0.0078 0.0149
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0099 0.1469
Loa Loa (eye worm) hypothetical protein 0.0011 0.0016 0.003
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0029 0.0015
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0725 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0099 0.117
Loa Loa (eye worm) latrophilin receptor protein 2 0.0114 0.1076 0.2051
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0047 0.0387 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0078 0.0122
Echinococcus multilocularis geminin 0.0205 0.2013 0.2002
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0029 0.0056
Schistosoma mansoni hypothetical protein 0.0205 0.2013 0.3821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0056
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0029 0.0015
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0099 0.0159
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0029 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0029 0.0056
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0518 0.5243 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0047 0.0387 0.0373
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0189
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0138 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0114 0.1076 0.203
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0099 0.0189
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0636 0.0623
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0099 0.0162
Brugia malayi Latrophilin receptor protein 2 0.0114 0.1076 0.2051
Brugia malayi TAR-binding protein 0.0518 0.5243 1
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0099 0.0159
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0029 0.0015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0056
Loa Loa (eye worm) Smad1 0.0017 0.0078 0.0149
Brugia malayi topoisomerase 0.0011 0.0016 0.003
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0047 0.0387 0.0373
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0725 0.1384
Brugia malayi hypothetical protein 0.0025 0.0157 0.03
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0138 0.0263
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0138 0.1718
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0047 0.0387 0.071
Loa Loa (eye worm) hypothetical protein 0.0114 0.1076 0.2051
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0725 0.136
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0725 0.0712
Schistosoma mansoni hypothetical protein 0.0205 0.2013 0.3821
Chlamydia trachomatis DNA ligase 0.0011 0.0016 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.0029 0.0056
Loa Loa (eye worm) hypothetical protein 0.0019 0.0099 0.0189
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0016 0.0000048774
Brugia malayi nuclear hormone receptor 0.0012 0.0029 0.0056
Toxoplasma gondii ATPase, AAA family protein 0.0011 0.0016 0.0000061239

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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 (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 20.5878 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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