Detailed information for compound 1314825

Basic information

Technical information
  • TDR Targets ID: 1314825
  • Name: N-[2-(4-acetamido-1,2,5-oxadiazol-3-yl)benzim idazol-1-yl]-N-acetylacetamide
  • MW: 342.309 | Formula: C15H14N6O4
  • H donors: 1 H acceptors: 6 LogP: 0.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1nonc1c1nc2c(n1N(C(=O)C)C(=O)C)cccc2
  • InChi: 1S/C15H14N6O4/c1-8(22)16-14-13(18-25-19-14)15-17-11-6-4-5-7-12(11)21(15)20(9(2)23)10(3)24/h4-7H,1-3H3,(H,16,19,22)
  • InChiKey: MHVLKEBYKIKILD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-acetamido-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-acetyl-acetamide
  • N-[2-(4-acetamido-1,2,5-oxadiazol-3-yl)-1-benzimidazolyl]-N-acetylacetamide
  • N-[2-(4-acetamidofurazan-3-yl)benzimidazol-1-yl]-N-acetyl-acetamide
  • N-[2-(4-acetamido-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-ethanoyl-ethanamide
  • Acetamide, N-[4-(1-diacetylamino)-2-benzimidazolyl)-3-furazanyl]-
  • MLS000111945
  • SMR000107864
  • Oprea1_460060
  • BAS 02829384
  • N-Acetyl-N-[2-(4-acetylamino-furazan-3-yl)-benzoimidazol-1-yl]-acetamide
  • N-Acetyl-N-(2-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-1H-benzimidazol-1-yl)acetamide
  • ZINC00269047
  • Oprea1_701740

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 2 (ER beta) Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0098 0.2967 0.2895
Leishmania major DNA polymerase eta, putative 0.0038 0.0793 0.0699
Loa Loa (eye worm) intermediate filament protein 0.0043 0.0973 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0262 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5123 0.5074
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Echinococcus granulosus lamin dm0 0.0043 0.0973 0.0881
Plasmodium vivax hypothetical protein 0.0019 0.0101 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.5741 0.5698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0737 0.0642
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0262 0.0162
Onchocerca volvulus 0.0043 0.0973 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0966 0.0934
Echinococcus multilocularis plexin a4 0.002 0.0147 0.0047
Echinococcus granulosus lamin 0.0043 0.0973 0.0881
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0098 0.2967 0.2967
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.5741 0.5698
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0036 0.0737 0.0642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2967 0.2895
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0101 0.0067
Loa Loa (eye worm) phosphatidylinositol kinase 0.0019 0.0101 0.0067
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0262 0.0228
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0043 0.0973 0.0942
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0262 0.0162
Leishmania major phosphatidylinositol 3-kinase, putative 0.0098 0.2967 0.2895
Entamoeba histolytica hypothetical protein 0.0055 0.142 0.1332
Schistosoma mansoni fkbp-rapamycin associated protein 0.0055 0.142 0.139
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0098 0.2967 0.2895
Trichomonas vaginalis conserved hypothetical protein 0.0062 0.1648 0.1563
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0262 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Echinococcus granulosus dna polymerase eta 0.0054 0.1375 0.1287
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0262 0.0262
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0019 0.0101 0.0067
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0262 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0262 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.025 0.8453 0.8437
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0055 0.142 0.142
Trypanosoma brucei unspecified product 0.0023 0.0262 0.0262
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0101 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.1648 0.162
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0262 0.0228
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0062 0.1648 0.2153
Schistosoma mansoni lamin 0.0043 0.0973 0.0942
Schistosoma mansoni DNA polymerase eta 0.0054 0.1375 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5132 0.5082
Loa Loa (eye worm) plexin A 0.002 0.0147 0.0113
Toxoplasma gondii FATC domain-containing protein 0.0055 0.142 0.1835
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.7835 0.7813
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0043 0.0966 0.0873
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Loa Loa (eye worm) hypothetical protein 0.006 0.1575 0.1546
Schistosoma mansoni lamin 0.0043 0.0973 0.0942
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0055 0.142 0.1332
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0098 0.2967 0.2967
Schistosoma mansoni hypothetical protein 0.0043 0.0966 0.0934
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0019 0.0101 0.0101
Echinococcus granulosus plexin a4 0.002 0.0147 0.0047
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0023 0.0251 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.142 0.1332
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.2967 0.2943
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0262 0.0162
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.142 0.139
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.7835 0.7813
Leishmania major DNA polymerase kappa, putative 0.0023 0.0262 0.0162
Echinococcus granulosus serine protein kinase ATM 0.0055 0.142 0.1332
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1375 0.1287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.7835 0.7813
Brugia malayi plexin A 0.002 0.0147 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.5679 0.5634
Brugia malayi cytoplasmic intermediate filament protein 0.0023 0.0251 0.0218
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0098 0.2967 0.2895
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Mycobacterium leprae conserved hypothetical protein 0.0019 0.0101 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0262 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Entamoeba histolytica protein kinase rad3, putative 0.0055 0.142 0.1332
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0233 0.7844 0.7822
Loa Loa (eye worm) hypothetical protein 0.002 0.014 0.0106
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0262 0.0228
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0019 0.0101 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0019 0.0101 0.0067
Leishmania major DNA polymerase eta, putative 0.0054 0.1375 0.1287
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.142 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.2967 0.2943
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.5741 0.5698
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0021 0.0169 0.0068
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0262 0.0162
Echinococcus multilocularis lamin 0.0043 0.0973 0.0881
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1375 0.1345
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0055 0.142 0.1332
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0019 0.0101 0.0101
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0019 0.0101 0.0067
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0262 0.0162
Onchocerca volvulus 0.0019 0.0101 0.071
Trypanosoma cruzi target of rapamycin kinase 3 0.0233 0.7844 0.7822
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2967 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5132 0.5082
Brugia malayi Intermediate filament tail domain containing protein 0.0043 0.0973 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5123 0.5074
Onchocerca volvulus 0.0043 0.0973 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0262 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0042 0.0945 0.0914
Loa Loa (eye worm) hypothetical protein 0.0054 0.1375 0.1345
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0793 0.0963
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0019 0.0101 0.0067
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0262 0.0228
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0262 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0101 0.0101
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2967 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.7835 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0173 0.5679 0.5634
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0098 0.2967 0.2943
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0067
Brugia malayi FAT domain containing protein 0.0043 0.0966 0.0934
Echinococcus multilocularis serine protein kinase ATM 0.0055 0.142 0.1332
Plasmodium vivax hypothetical protein, conserved 0.0019 0.0101 0.5
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0055 0.142 0.1332
Echinococcus granulosus intermediate filament protein 0.0043 0.0973 0.0881
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0101 0.0067
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0101 0.0067
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1375 0.1375
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0019 0.0101 0.0067
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0021 0.0169 0.0135
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0233 0.7844 0.7844
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0098 0.2967 0.2895
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0262 1
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0101 0.5
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0043 0.0966 0.0873
Giardia lamblia DINP protein human, muc B family 0.0023 0.0262 0.0162
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0055 0.142 0.1332
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0055 0.142 0.1332
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0019 0.0101 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0966 0.0873
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0262 0.0262
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0101 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0055 0.142 0.139
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0101 0.0067
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0021 0.0169 0.0068
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0262 0.0162
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.2258 0.2178
Loa Loa (eye worm) hypothetical protein 0.0019 0.0101 0.0067
Echinococcus multilocularis musashi 0.0043 0.0973 0.0881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5123 0.5074
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0262 0.0262
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0019 0.0101 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0098 0.2967 0.2895
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0138 0.4423 0.4423
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2967 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5132 0.5082
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0019 0.0101 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0055 0.142 0.139
Trichomonas vaginalis PIKK family atypical protein kinase 0.019 0.6288 0.625
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0019 0.0101 0.5
Echinococcus multilocularis dna polymerase eta 0.0054 0.1375 0.1287
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0793 0.0699
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0019 0.0101 0.0067
Brugia malayi intermediate filament protein 0.0043 0.0973 0.0942
Loa Loa (eye worm) hypothetical protein 0.0036 0.0737 0.0705
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0262 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0262 0.0162
Loa Loa (eye worm) hypothetical protein 0.002 0.014 0.0106
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0019 0.0101 0.0067
Toxoplasma gondii target of rapamycin (TOR), putative 0.0217 0.7289 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.7289 0.7261
Schistosoma mansoni intermediate filament proteins 0.0043 0.0973 0.0942
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0019 0.0101 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.7835 0.7813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.142 0.1332
Loa Loa (eye worm) hypothetical protein 0.0055 0.142 0.139
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0019 0.0101 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0737 0.0642
Onchocerca volvulus 0.0019 0.0101 0.071
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0101 0.0067
Echinococcus multilocularis lamin dm0 0.0043 0.0973 0.0881
Trichomonas vaginalis PIKK family atypical protein kinase 0.0196 0.6516 0.6481
Loa Loa (eye worm) hypothetical protein 0.0043 0.0973 0.0942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.2967 0.2895
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0121 0.3813 0.3813
Trichomonas vaginalis PIKK family atypical protein kinase 0.0158 0.5132 0.5082
Schistosoma mansoni hypothetical protein 0.0019 0.0101 0.0067

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.74563 um PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)] ChEMBL. No reference
IC50 (binding) > 109.2005 um PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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