Detailed information for compound 1279694

Basic information

Technical information
  • TDR Targets ID: 1279694
  • Name: N-(5-acetyl-6-methyl-2-oxopyran-3-yl)benzamid e
  • MW: 271.268 | Formula: C15H13NO4
  • H donors: 1 H acceptors: 3 LogP: 1.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1oc(C)c(cc1NC(=O)c1ccccc1)C(=O)C
  • InChi: 1S/C15H13NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,18)
  • InChiKey: NLYKJMSLWBGFEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-acetyl-6-methyl-2-oxo-pyran-3-yl)benzamide
  • N-(5-acetyl-6-methyl-2-oxo-3-pyranyl)benzamide
  • N-(5-acetyl-2-keto-6-methyl-pyran-3-yl)benzamide
  • N-(5-ethanoyl-6-methyl-2-oxo-pyran-3-yl)benzamide
  • MLS000694543
  • N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)benzenecarboxamide
  • SMR000333215
  • ZINC00041815
  • 2E-915

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi target of rapamycin kinase 3 0.0278 0.1711 0.4656
Echinococcus multilocularis tar DNA binding protein 0.0071 0.013 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Schistosoma mansoni tar DNA-binding protein 0.0071 0.013 0.0219
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0121 0.0516 0.0516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.038 0.1782
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0053 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0134 0.0225
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0535 0.3675 0.3675
Brugia malayi jmjC domain containing protein 0.0071 0.0134 0.0365
Loa Loa (eye worm) phosphatidylinositol 3 0.0278 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0134 0.0134
Schistosoma mansoni tar DNA-binding protein 0.0071 0.013 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0178 0.0951 0.2589
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0152 0.0886
Brugia malayi TAR-binding protein 0.0071 0.013 0.0355
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0278 0.1711 0.2876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0212 0.1206 0.5663
Loa Loa (eye worm) hypothetical protein 0.0055 0.0011 0.0054
Entamoeba histolytica hypothetical protein 0.0232 0.1359 0.7942
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0152 0.0749 0.3515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Plasmodium vivax hypothetical protein, conserved 0.0053 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0535 0.3675 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0152 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.013 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Brugia malayi Calcitonin receptor-like protein seb-1 0.0152 0.0749 0.2037
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0232 0.1359 0.3698
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.013 0.0612
Plasmodium vivax hypothetical protein 0.0053 0 0.5
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0157 0.0787 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Brugia malayi latrophilin 2 splice variant baaae 0.0104 0.0383 0.1042
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0134 0.0225
Trichomonas vaginalis set domain proteins, putative 0.0241 0.143 0.6715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5948 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0152 0.0152
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0358 0.0358
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0278 0.1711 0.8033
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0232 0.1359 0.638
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0535 0.3675 0.6178
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0278 0.1711 0.1711
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0278 0.1711 0.8033
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0278 0.1711 0.4656
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0278 0.1711 0.1711
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.1207 0.5667
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0152 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0333 0.213 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0152 0.0255
Schistosoma mansoni hypothetical protein 0.0104 0.0383 0.0643
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0053 0 0.5
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0358 0.0975
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1365 1 1
Toxoplasma gondii FATC domain-containing protein 0.0232 0.1359 0.7942
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0358 0.0358
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0278 0.1711 0.4826
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0134 0.0134
Schistosoma mansoni fkbp-rapamycin associated protein 0.0157 0.0787 0.1323
Leishmania major phosphatidylinositol 3-kinase, putative 0.0278 0.1711 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5948 0.5948
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Brugia malayi Pre-SET motif family protein 0.0212 0.1207 0.3285
Schistosoma mansoni tar DNA-binding protein 0.0071 0.013 0.0219
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0278 0.1711 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0175 0.0924 0.4337
Trichomonas vaginalis conserved hypothetical protein 0.0175 0.0924 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Leishmania major phosphatidylinositol kinase related protein, putative 0.0128 0.0572 0.1613
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0134 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0333 0.213 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0516 0.2423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0175 0.0924 0.4337
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0546 0.2565
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0152 0.5
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0157 0.0787 0.0787
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0134 0.0134
Loa Loa (eye worm) RNA binding protein 0.0071 0.013 0.0612
Loa Loa (eye worm) hypothetical protein 0.0157 0.0787 0.3696
Toxoplasma gondii target of rapamycin (TOR), putative 0.0278 0.1711 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0121 0.0516 0.0516
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0152 0.0428
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0278 0.1711 0.8033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0152 0.0749 0.2037
Schistosoma mansoni hypothetical protein 0.0121 0.0516 0.0868
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.038 0.1782
Brugia malayi jmjC domain containing protein 0.0071 0.0134 0.0365
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0358 0.0602
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0535 0.3675 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0333 0.213 0.6008
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0535 0.3675 1
Echinococcus granulosus serine protein kinase ATM 0.0232 0.1359 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Brugia malayi FAT domain containing protein 0.0121 0.0516 0.1404
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0232 0.1359 0.3698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0278 0.1711 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0924 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Schistosoma mansoni tar DNA-binding protein 0.0071 0.013 0.0219
Echinococcus granulosus tar DNA binding protein 0.0071 0.013 0.013
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.013 0.0355
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0053 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0333 0.213 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0152 0.0255
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0278 0.1711 0.4826
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Mycobacterium leprae conserved hypothetical protein 0.0053 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0278 0.1711 1
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0053 0 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0278 0.1711 0.4656
Giardia lamblia GTOR 0.0278 0.1711 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Leishmania major hypothetical protein, conserved 0.0518 0.3545 1
Echinococcus multilocularis serine protein kinase ATM 0.0232 0.1359 0.1359
Trichomonas vaginalis PIKK family atypical protein kinase 0.0232 0.1359 0.638
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0546 0.2565
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0157 0.0787 0.2142
Trichomonas vaginalis conserved hypothetical protein 0.0121 0.0516 0.2423
Loa Loa (eye worm) hypothetical protein 0.0055 0.0011 0.0054
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0152 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5948 0.5948
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0134 0.063
Loa Loa (eye worm) hypothetical protein 0.0104 0.0383 0.1797
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0278 0.1711 0.4656
Brugia malayi RNA binding protein 0.0071 0.013 0.0355
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0157 0.0787 0.2142
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0232 0.1359 0.2285
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0053 0 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0157 0.0787 0.4601
Trypanosoma cruzi hypothetical protein, conserved 0.0465 0.3137 0.8538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0152 0.0152
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0053 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0071 0.013 0.0612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0157 0.0787 0.3696
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0128 0.0572 0.1556
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0134 0.0225
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0212 0.1206 0.705
Onchocerca volvulus 0.01 0.0358 0.2504
Brugia malayi MH2 domain containing protein 0.0125 0.0546 0.1487
Loa Loa (eye worm) hypothetical protein 0.01 0.0358 0.1682
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0278 0.1711 0.8033
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0535 0.3675 0.3675
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0053 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.0749 0.3515
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Onchocerca volvulus 0.0241 0.143 1
Loa Loa (eye worm) hypothetical protein 0.0178 0.0951 0.4466
Trichomonas vaginalis PIKK family atypical protein kinase 0.0278 0.1711 0.8033
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0175 0.0924 0.5399

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of Nrf2 Activators. (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) = 19.9526 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 25.9185 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 (binding) = 28.1838 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 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 (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 35.4813 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) 44.6684 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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