Detailed information for compound 1403774

Basic information

Technical information
  • TDR Targets ID: 1403774
  • Name: 3-(4-methoxyphenyl)-4-methyl-5-(oxolan-2-ylme thylsulfanyl)-1,2,4-triazole
  • MW: 305.395 | Formula: C15H19N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1nnc(n1C)SCC1CCCO1
  • InChi: 1S/C15H19N3O2S/c1-18-14(11-5-7-12(19-2)8-6-11)16-17-15(18)21-10-13-4-3-9-20-13/h5-8,13H,3-4,9-10H2,1-2H3
  • InChiKey: IVAXLTKFNDCHPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methoxyphenyl)-4-methyl-5-(tetrahydrofuran-2-ylmethylsulfanyl)-1,2,4-triazole
  • 3-(4-methoxyphenyl)-4-methyl-5-(2-tetrahydrofuranylmethylthio)-1,2,4-triazole
  • 3-(4-methoxyphenyl)-4-methyl-5-(tetrahydrofurfurylthio)-1,2,4-triazole
  • MLS000708308
  • SMR000287775
  • ASN 07331039

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Schistosoma mansoni zinc finger protein 0.0026 0.0132 0.0209
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Leishmania major DNA polymerase kappa, putative 0.0019 0.0063 0.001
Echinococcus granulosus Tubulin beta 2C chain 0.0469 0.472 0.9479
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0232 0.0411
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0033 0.0004
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0186 0.0272
Echinococcus granulosus tubulin beta 1 chain 0.0469 0.472 0.9479
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0628 0.1211
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0633 0.1222
Echinococcus granulosus Tubulin alpha 1 chain 0.0358 0.3573 0.7162
Echinococcus granulosus tubulin alpha 1C chain 0.0358 0.3573 0.7162
Loa Loa (eye worm) hypothetical protein 0.0049 0.0378 0.0745
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0059 0.0004
Echinococcus granulosus Tubulin beta 2C chain 0.0469 0.472 0.9479
Trypanosoma brucei beta tubulin 0.0469 0.472 1
Brugia malayi MH1 domain containing protein 0.0016 0.0033 0.0069
Schistosoma mansoni smad1 5 8 and 0.0016 0.0033 0.0009
Trichomonas vaginalis tubulin beta chain, putative 0.0147 0.1393 0.2861
Entamoeba histolytica tubulin family protein 0.0469 0.472 1
Trichomonas vaginalis tubulin, putative 0.0113 0.1038 0.2099
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0063 0.0069
Leishmania major DNA polymerase eta, putative 0.0031 0.0186 0.0276
Brugia malayi Tubulin alpha-2 chain 0.0358 0.3573 0.7571
Schistosoma mansoni tubulin subunit beta 0.0113 0.1038 0.2039
Echinococcus granulosus Tubulin beta 2C chain 0.0469 0.472 0.9479
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0063 0.0032
Schistosoma mansoni hypothetical protein 0.0034 0.0216 0.0379
Toxoplasma gondii alpha-tubulin I, putative 0.0358 0.3573 0.754
Echinococcus granulosus beta tubulin 0.0469 0.472 0.9479
Schistosoma mansoni smad1 5 8 and 0.0016 0.0033 0.0009
Brugia malayi Tubulin beta chain 0.0113 0.1038 0.2198
Echinococcus multilocularis smad 0.0016 0.0033 0.0004
Entamoeba histolytica tubulin alpha chain, putative 0.0358 0.3573 0.754
Brugia malayi hypothetical protein 0.0025 0.0125 0.0265
Schistosoma mansoni alpha tubulin 0.0358 0.3573 0.7162
Trypanosoma brucei alpha tubulin 0.0358 0.3573 0.757
Loa Loa (eye worm) hypothetical protein 0.0245 0.2402 0.506
Plasmodium vivax delta tubulin, putative 0.0113 0.1038 0.2099
Trypanosoma brucei beta tubulin 0.0261 0.2564 0.543
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0059 0.0063
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Leishmania major beta tubulin 0.0469 0.472 1
Echinococcus granulosus cpg binding protein 0.0039 0.027 0.0488
Echinococcus granulosus geminin 0.0334 0.3327 0.6664
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0063 0.0007
Loa Loa (eye worm) hypothetical protein 0.0085 0.075 0.1539
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0169 0.0141
Echinococcus multilocularis Tubulin beta 2C chain 0.0469 0.472 0.4705
Giardia lamblia Gamma tubulin 0.0261 0.2564 0.5373
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0059 0.0004
Giardia lamblia Alpha-tubulin 0.0358 0.3573 0.754
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0063 0.001
Trichomonas vaginalis tubulin gamma chain, putative 0.0113 0.1038 0.2099
Schistosoma mansoni tubulin subunit alpha 0.0358 0.3573 0.7162
Leishmania major gamma-tubulin 0.0261 0.2564 0.5375
Loa Loa (eye worm) tubulin beta chain 0.0469 0.472 1
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0063 0.0073
Trichomonas vaginalis tubulin alpha chain, putative 0.0147 0.1393 0.2861
Entamoeba histolytica tubulin gamma chain 0.0261 0.2564 0.5373
Brugia malayi Tubulin alpha-2 chain 0.0358 0.3573 0.7571
Schistosoma mansoni smad 0.0016 0.0033 0.0009
Schistosoma mansoni DNA polymerase eta 0.0044 0.0321 0.0592
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0321 0.0566
Loa Loa (eye worm) beta-tubulin 0.0469 0.472 1
Leishmania major beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0469 0.472 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0059 0.0004
Schistosoma mansoni hypothetical protein 0.0025 0.0124 0.0194
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0211 0.2047 0.4265
Toxoplasma gondii beta-1 tubulin, putative 0.0469 0.472 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0358 0.3573 0.754
Echinococcus multilocularis geminin 0.0334 0.3327 0.3308
Brugia malayi hypothetical protein 0.0035 0.0232 0.0492
Echinococcus multilocularis tubulin alpha chain 0.0358 0.3573 0.3555
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0125 0.0141
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0113 0.1038 0.2099
Schistosoma mansoni zinc finger protein 0.0018 0.0058 0.0059
Trichomonas vaginalis tubulin epsilon chain, putative 0.0358 0.3573 0.754
Echinococcus multilocularis beta tubulin 0.0469 0.472 0.4705
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0063 0.0069
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0033 0.0004
Trichomonas vaginalis tubulin alpha chain, putative 0.0147 0.1393 0.2861
Trypanosoma brucei tubulin gamma chain 0.0261 0.2564 0.543
Plasmodium falciparum tubulin beta chain 0.0469 0.472 1
Trichomonas vaginalis tubulin beta chain, putative 0.0469 0.472 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0125 0.0145
Schistosoma mansoni hypothetical protein 0.0334 0.3327 0.6664
Loa Loa (eye worm) BEN-1 protein 0.0469 0.472 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0321 0.0625
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Mycobacterium tuberculosis Cell division protein FtsZ 0.0113 0.1038 1
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0063 0.0032
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.0576 0.1108
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.008 0.0104
Brugia malayi beta-tubulin, identical 0.0469 0.472 1
Echinococcus granulosus alpha tubulin 0.0358 0.3573 0.7162
Brugia malayi Tubulin beta chain 0.0147 0.1393 0.2951
Echinococcus granulosus tubulin alpha 3 chain 0.0358 0.3573 0.7162
Loa Loa (eye worm) tubulin alpha 2 0.0098 0.0876 0.1807
Schistosoma mansoni tubulin subunit gamma 0.0261 0.2564 0.5123
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0189 0.0397
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0225 0.042
Echinococcus multilocularis Tubulin beta 2C chain 0.0469 0.472 0.4705
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0063 0.0034
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0059 0.0066
Leishmania major beta tubulin 0.0469 0.472 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0189 0.0397
Treponema pallidum cell division protein FtsZ 0.0113 0.1038 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0378 0.0801
Echinococcus granulosus tubulin epsilon chain 0.0261 0.2564 0.5123
Giardia lamblia Beta tubulin 0.0469 0.472 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0063 0.001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0633 0.0606
Brugia malayi Tubulin gamma chain 0.0261 0.2564 0.5432
Echinococcus granulosus Tubulin alpha 1 chain 0.0358 0.3573 0.7162
Echinococcus granulosus tubulin beta 4A class IVa 0.0469 0.472 0.9479
Echinococcus multilocularis tubulin epsilon chain 0.0261 0.2564 0.2543
Echinococcus multilocularis tubulin alpha chain 0.0358 0.3573 0.3555
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0189 0.0401
Leishmania major epsilon tubulin, putative 0.0261 0.2564 0.5375
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Schistosoma mansoni hypothetical protein 0.0035 0.0232 0.0411
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Brugia malayi CXXC zinc finger family protein 0.0035 0.0225 0.0478
Mycobacterium leprae cell division protein FtsZ 0.0113 0.1038 0.5
Echinococcus granulosus zinc finger protein 0.0026 0.0132 0.0209
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0113 0.1038 1
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.2305 0.4852
Schistosoma mansoni hypothetical protein 0.0494 0.4978 1
Trypanosoma brucei alpha tubulin 0.0358 0.3573 0.757
Trypanosoma cruzi tubulin delta chain 0.0113 0.1038 0.2102
Echinococcus multilocularis Smad4 0.0016 0.0033 0.0004
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0063 0.001
Leishmania major beta tubulin 0.0469 0.472 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0113 0.1038 0.2099
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0186 0.0276
Echinococcus granulosus tubulin alpha chain 0.0358 0.3573 0.7162
Echinococcus multilocularis Tubulin alpha 1 chain 0.0358 0.3573 0.3555
Toxoplasma gondii beta-tubulin, putative 0.0469 0.472 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0358 0.3573 0.754
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0063 0.001
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0033 0.0009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0232 0.0411
Leishmania major beta tubulin 0.0469 0.472 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0261 0.2564 0.5373
Trypanosoma cruzi zeta tubulin, putative 0.0113 0.1038 0.2102
Trichomonas vaginalis tubulin alpha chain, putative 0.0147 0.1393 0.2861
Schistosoma mansoni cpg binding protein 0.0039 0.027 0.0488
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0125 0.0141
Plasmodium falciparum alpha tubulin 1 0.0358 0.3573 0.754
Echinococcus granulosus tubulin alpha chain 0.0358 0.3573 0.7162
Trypanosoma brucei alpha tubulin 0.0358 0.3573 0.757
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0189 0.0278
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0232 0.0204
Echinococcus multilocularis tubulin alpha 3 chain 0.0358 0.3573 0.3555
Echinococcus multilocularis tubulin alpha chain 0.0358 0.3573 0.3555
Loa Loa (eye worm) hypothetical protein 0.0053 0.042 0.0835
Leishmania major beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Giardia lamblia Delta tubulin 0.0113 0.1038 0.2099
Brugia malayi MH2 domain containing protein 0.0016 0.0033 0.0069
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0063 0.0007
Entamoeba histolytica tubulin alpha-1 chain 0.0358 0.3573 0.754
Plasmodium vivax tubulin gamma chain, putative 0.0261 0.2564 0.5373
Loa Loa (eye worm) tubulin beta-1 chain 0.0469 0.472 1
Giardia lamblia Beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin, putative 0.0469 0.472 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0189 0.0161
Leishmania major beta tubulin 0.0469 0.472 1
Trypanosoma brucei epsilon tubulin 0.0261 0.2564 0.543
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0189 0.1325
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0063 0.001
Leishmania major beta tubulin 0.0469 0.472 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0469 0.472 1
Echinococcus multilocularis tubulin delta chain 0.0113 0.1038 0.1012
Schistosoma mansoni tubulin subunit epsilon 0.0261 0.2564 0.5123
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Echinococcus granulosus Tubulin beta 2C chain 0.0469 0.472 0.9479
Loa Loa (eye worm) tubulin alpha 2 0.0245 0.2402 0.506
Plasmodium falciparum tubulin gamma chain 0.0261 0.2564 0.5373
Schistosoma mansoni hypothetical protein 0.0334 0.3327 0.6664
Schistosoma mansoni cpg binding protein 0.0035 0.0225 0.0398
Trichomonas vaginalis tubulin gamma chain, putative 0.0261 0.2564 0.5373
Echinococcus granulosus tubulin alpha 0.0261 0.2564 0.5123
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0129
Schistosoma mansoni hypothetical protein 0.0018 0.0058 0.0059
Echinococcus multilocularis tubulin alpha chain 0.0358 0.3573 0.3555
Loa Loa (eye worm) tubulin gamma chain 0.0261 0.2564 0.5404
Echinococcus multilocularis Tubulin beta 2C chain 0.0469 0.472 0.4705
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Echinococcus granulosus tubulin gamma 1 chain 0.0261 0.2564 0.5123
Echinococcus multilocularis zinc finger protein 0.0026 0.0132 0.0104
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.4978 0.4964
Echinococcus multilocularis tubulin gamma 1 chain 0.0261 0.2564 0.2543
Echinococcus multilocularis tubulin subunit TubB 0.0358 0.3573 0.3555
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Loa Loa (eye worm) alpha-tubulin 0.0358 0.3573 0.7556
Plasmodium vivax tubulin beta chain, putative 0.0469 0.472 1
Giardia lamblia Epsilon tubulin 0.0113 0.1038 0.2099
Plasmodium vivax tubulin alpha chain, putative 0.0358 0.3573 0.754
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1038 0.2099
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0028 0.006
Echinococcus multilocularis Tubulin alpha 1 chain 0.0358 0.3573 0.3555
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0125 0.0145
Leishmania major DNA polymerase eta, putative 0.0044 0.0321 0.0566
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.008 0.0104
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0321 0.0681
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Echinococcus granulosus Tubulin alpha 1 chain 0.0358 0.3573 0.7162
Echinococcus granulosus dna polymerase eta 0.0044 0.0321 0.0592
Echinococcus multilocularis beta tubulin 0.0469 0.472 0.4705
Echinococcus multilocularis peroxisome assembly protein 26 0.0358 0.3573 0.3555
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0087 0.0119
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0189 0.0325
Giardia lamblia Beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Loa Loa (eye worm) tubulin alpha chain 0.0358 0.3573 0.7556
Brugia malayi alpha-tubulin 0.0358 0.3573 0.7571
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.008 0.0051
Trypanosoma cruzi beta tubulin, putative 0.0469 0.472 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0358 0.3573 0.3555
Giardia lamblia Alpha-tubulin 0.0358 0.3573 0.754
Leishmania major hypothetical protein, conserved 0.0025 0.0125 0.0145
Brugia malayi MH2 domain containing protein 0.0236 0.2305 0.4882
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0189 0.0325
Trypanosoma cruzi tubulin gamma chain 0.0261 0.2564 0.5375
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0189 0.0161
Brugia malayi Smad1 0.0016 0.0033 0.0069
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.037
Loa Loa (eye worm) alpha-tubulin 0.0358 0.3573 0.7556
Plasmodium vivax tubulin epsilon chain, putative 0.0261 0.2564 0.5373
Echinococcus multilocularis cpg binding protein 0.0039 0.027 0.0242
Echinococcus granulosus tubulin alpha chain 0.0358 0.3573 0.7162
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0469 0.472 0.4705
Trypanosoma cruzi zeta tubulin, putative 0.0113 0.1038 0.2102
Brugia malayi Tubulin beta-1 chain 0.0469 0.472 1
Leishmania major beta tubulin 0.0469 0.472 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Plasmodium falciparum tubulin delta chain, putative 0.0113 0.1038 0.2099
Trypanosoma brucei tubulin delta chain 0.0113 0.1038 0.2196
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0059 0.0126
Loa Loa (eye worm) Smad1 0.0016 0.0033 0.0009
Brugia malayi Bromodomain containing protein 0.0046 0.0345 0.0731
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0321 0.0677
Trichomonas vaginalis tubulin epsilon chain, putative 0.0469 0.472 1
Echinococcus granulosus Tubulin beta 2C chain 0.0469 0.472 0.9479
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0033 0.0009
Loa Loa (eye worm) tubulin alpha chain 0.0358 0.3573 0.7556
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.037
Echinococcus granulosus tubulin alpha chain 0.0358 0.3573 0.7162
Trypanosoma brucei beta tubulin 0.0469 0.472 1
Trypanosoma brucei beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0261 0.2564 0.5373
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0033 0.0009
Echinococcus multilocularis tubulin alpha 1C chain 0.0358 0.3573 0.3555
Trypanosoma brucei alpha tubulin, putative 0.0147 0.1393 0.2948
Schistosoma mansoni ap endonuclease 0.0019 0.0059 0.0063
Schistosoma mansoni tubulin subunit alpha 0.0358 0.3573 0.7162
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0189 0.0161
Schistosoma mansoni alpha tubulin 0.0358 0.3573 0.7162
Echinococcus granulosus tubulin delta chain 0.0113 0.1038 0.2039
Echinococcus granulosus tubulin alpha 3 chain 0.0358 0.3573 0.7162
Schistosoma mansoni tubulin subunit delta 0.0113 0.1038 0.2039
Schistosoma mansoni Smad4 0.0016 0.0033 0.0009
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0316 0.0288
Echinococcus multilocularis tubulin alpha chain 0.0358 0.3573 0.3555
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0129
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0033 0.0009
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Echinococcus multilocularis Tubulin beta 2C chain 0.0469 0.472 0.4705
Giardia lamblia DINP protein human, muc B family 0.0019 0.0063 0.0007
Trypanosoma cruzi epsilon tubulin, putative 0.0261 0.2564 0.5375
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.2305 0.4852
Trypanosoma brucei zeta tubulin 0.0113 0.1038 0.2196
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0063 0.0032
Leishmania major beta tubulin 0.0469 0.472 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0189 0.0161
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0087 0.0119
Echinococcus granulosus peroxisome assembly protein 26 0.0358 0.3573 0.7162
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0063 0.0129
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0063 0.0133
Echinococcus granulosus Smad4 0.0016 0.0033 0.0009
Echinococcus multilocularis tubulin subunit beta 0.0469 0.472 0.4705
Echinococcus granulosus dnaJ subfamily B 0.0494 0.4978 1
Brugia malayi Tubulin alpha chain 0.0113 0.1038 0.2198
Echinococcus granulosus tubulin alpha 1C chain 0.0358 0.3573 0.7162
Loa Loa (eye worm) tubulin alpha-3 chain 0.0211 0.2047 0.4303
Loa Loa (eye worm) tubulin beta-4 chain 0.0469 0.472 1
Schistosoma mansoni alpha tubulin 0.0358 0.3573 0.7162
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.037
Echinococcus multilocularis tubulin alpha 1C chain 0.0358 0.3573 0.3555
Loa Loa (eye worm) tubulin alpha 2 0.0245 0.2402 0.506
Trichomonas vaginalis tubulin alpha chain, putative 0.0469 0.472 1
Loa Loa (eye worm) hypothetical protein 0.0358 0.3573 0.7556
Brugia malayi MH2 domain containing protein 0.0016 0.0033 0.0069
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Echinococcus multilocularis tubulin beta 1 chain 0.0469 0.472 0.4705
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0169 0.0283
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0216 0.0458
Schistosoma mansoni smad1 5 8 and 0.0016 0.0033 0.0009
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0189 0.0282
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0124 0.0205
Echinococcus granulosus dna polymerase kappa 0.0019 0.0063 0.0069
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0087 0.0059
Trypanosoma cruzi tubulin delta chain 0.0113 0.1038 0.2102
Trypanosoma brucei unspecified product 0.0019 0.0063 0.0129
Leishmania major beta tubulin 0.0469 0.472 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0033 0.0009
Echinococcus multilocularis dna polymerase eta 0.0044 0.0321 0.0294
Schistosoma mansoni bromodomain containing protein 0.0078 0.0678 0.1312
Brugia malayi tubulin alpha-2 chain 0.0358 0.3573 0.7571
Leishmania major zeta tubulin, putative 0.0113 0.1038 0.2102
Loa Loa (eye worm) hypothetical protein 0.0025 0.0125 0.0206
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0028 0.006
Trichomonas vaginalis tubulin, putative 0.0147 0.1393 0.2861
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0189 0.0282
Brugia malayi isocitrate dehydrogenase 0.0031 0.0189 0.0401
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0059 0.0122
Schistosoma mansoni ap endonuclease 0.0019 0.0059 0.0063
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0113 0.1038 0.2099
Trypanosoma brucei epsilon tubulin 0.0261 0.2564 0.543
Toxoplasma gondii alpha tubulin TUBA1 0.0358 0.3573 0.754
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Loa Loa (eye worm) tubulin alpha-2 chain 0.0358 0.3573 0.7556
Leishmania major delta tubulin, putative 0.0113 0.1038 0.2102
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0063 0.0069
Trichomonas vaginalis tubulin, putative 0.0147 0.1393 0.2861
Echinococcus multilocularis Tubulin beta 2C chain 0.0469 0.472 0.4705
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0125 0.0141
Leishmania major beta tubulin 0.0469 0.472 1
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0189 0.0278
Trypanosoma brucei alpha tubulin 0.0358 0.3573 0.757
Echinococcus granulosus tubulin subunit TubB 0.0358 0.3573 0.7162
Trichomonas vaginalis tubulin epsilon chain, putative 0.0113 0.1038 0.2099
Entamoeba histolytica hypothetical protein 0.0035 0.0232 0.037
Brugia malayi PHD-finger family protein 0.0032 0.0198 0.042
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0125 0.0262
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Echinococcus granulosus beta tubulin 0.0469 0.472 0.9479
Loa Loa (eye worm) tubulin beta chain 0.0113 0.1038 0.2151
Plasmodium vivax tubulin alpha chain, putative 0.0358 0.3573 0.754
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0125 0.0141
Brugia malayi MH1 domain containing protein 0.0016 0.0033 0.0069
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0063 0.0007
Brugia malayi Tubulin alpha chain 0.0358 0.3573 0.7571
Leishmania major alpha tubulin 0.0358 0.3573 0.7541
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0189 0.0343
Trypanosoma brucei zeta tubulin, putative 0.0113 0.1038 0.2196
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0087 0.0126
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1038 0.2099
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0189 0.0161
Trypanosoma cruzi alpha tubulin, putative 0.0358 0.3573 0.7541
Schistosoma mansoni tubulin subunit beta 0.0469 0.472 0.9479
Trichomonas vaginalis tubulin alpha chain, putative 0.0261 0.2564 0.5373
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0189 0.0278
Loa Loa (eye worm) hypothetical protein 0.0046 0.0346 0.0677
Brugia malayi Bromodomain containing protein 0.0093 0.0824 0.1746
Loa Loa (eye worm) hypothetical protein 0.0021 0.0087 0.0126
Echinococcus multilocularis tubulin alpha 0.0261 0.2564 0.2543
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0378 0.0801
Loa Loa (eye worm) hypothetical protein 0.0049 0.0376 0.074
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0059 0.0031
Plasmodium falciparum tubulin epsilon chain, putative 0.0261 0.2564 0.5373
Trypanosoma cruzi epsilon tubulin, putative 0.0261 0.2564 0.5375
Echinococcus granulosus tubulin subunit beta 0.0469 0.472 0.9479
Leishmania major beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0245 0.2402 0.5027
Schistosoma mansoni tubulin subunit alpha 0.0358 0.3573 0.7162
Mycobacterium ulcerans cell division protein FtsZ 0.0113 0.1038 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0169 0.0283
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0063 0.0032
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0087 0.0119
Echinococcus multilocularis hypothetical protein 0.0358 0.3573 0.3555
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0189 0.0278
Schistosoma mansoni tubulin subunit alpha 0.0113 0.1038 0.2039
Echinococcus granulosus tubulin alpha chain 0.0358 0.3573 0.7162
Brugia malayi hypothetical protein 0.0016 0.0033 0.0071
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0063 0.0034
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0147 0.1393 0.2861
Leishmania major beta tubulin 0.0469 0.472 1
Trypanosoma brucei ISWI complex protein 0.0018 0.0058 0.0119
Toxoplasma gondii beta tubulin 0.0469 0.472 1
Schistosoma mansoni cpg binding protein 0.0039 0.027 0.0488
Leishmania major beta tubulin 0.0469 0.472 1
Trypanosoma brucei epsilon tubulin 0.0261 0.2564 0.543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0316 0.058
Plasmodium falciparum alpha tubulin 2 0.0358 0.3573 0.754
Loa Loa (eye worm) BEN-1 protein 0.0469 0.472 1
Echinococcus granulosus smad 0.0016 0.0033 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Brugia malayi tubulin alpha chain - mouse 0.0358 0.3573 0.7571
Loa Loa (eye worm) hypothetical protein 0.0034 0.0216 0.04
Brugia malayi Cell division protein ftsZ 0.0113 0.1038 0.2198
Leishmania major beta tubulin 0.0469 0.472 1
Leishmania major beta tubulin 0.0469 0.472 1
Leishmania major beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Entamoeba histolytica tubulin family protein 0.0469 0.472 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0245 0.2402 0.506
Trichomonas vaginalis tubulin gamma chain, putative 0.0469 0.472 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.2047 0.4303
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0189 0.0282
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.008 0.0104
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0063 0.0129
Onchocerca volvulus 0.0147 0.1393 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0378 0.0745
Trypanosoma brucei beta tubulin 0.0469 0.472 1
Trichomonas vaginalis tubulin beta chain, putative 0.0358 0.3573 0.754
Echinococcus multilocularis Tubulin alpha 1 chain 0.0358 0.3573 0.3555

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 44.6684 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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