Detailed information for compound 1452710

Basic information

Technical information
  • TDR Targets ID: 1452710
  • Name: N-(3-methylpyridin-2-yl)-5-nitrofuran-2-carbo xamide
  • MW: 247.207 | Formula: C11H9N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(o1)[N+](=O)[O-])Nc1ncccc1C
  • InChi: 1S/C11H9N3O4/c1-7-3-2-6-12-10(7)13-11(15)8-4-5-9(18-8)14(16)17/h2-6H,1H3,(H,12,13,15)
  • InChiKey: MMZGCCYXQAGFBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-methyl-2-pyridyl)-5-nitro-furan-2-carboxamide
  • N-(3-methyl-2-pyridyl)-5-nitro-2-furancarboxamide
  • N-(3-methyl-2-pyridyl)-5-nitro-2-furamide
  • N-(3-methylpyridin-2-yl)-5-nitro-furan-2-carboxamide
  • AG-690/11635362
  • ZINC00377479
  • STK027985
  • 5-Nitro-furan-2-carboxylic acid (3-methyl-pyridin-2-yl)-amide
  • BAS 00627320
  • MLS000578133
  • N-(3-methyl-2-pyridinyl)-5-nitro-2-furamide
  • SMR000186343
  • Oprea1_295569

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0279 0.6699 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0149 0.3391 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0009 0.0014
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0009 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0065 0.0097
Echinococcus multilocularis muscleblind protein 0.018 0.4187 0.4187
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0065 0.0065
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.5862 0.8751
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1395 0.1395
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1106 0.1651
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0065 0.0097
Brugia malayi jmjC domain containing protein 0.0019 0.0065 0.0097
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0028 0.0042
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.018 0.4187 0.625
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0009 0.0009
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0358 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0065 0.0065
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0014
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0358 0.0535
Loa Loa (eye worm) hypothetical protein 0.0082 0.1687 0.2519
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0149 0.3391 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0065 0.1809
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0149 0.3391 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1118 0.1669
Schistosoma mansoni smad 0.0017 0.0009 0.0014
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1687 0.2519
Brugia malayi hypothetical protein 0.0148 0.3359 0.5014
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Brugia malayi hypothetical protein 0.0043 0.0691 0.1031
Entamoeba histolytica hypothetical protein 0.0043 0.0691 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0065 0.1809
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1395 0.2082
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0358 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0065 0.0097
Echinococcus multilocularis Smad4 0.0017 0.0009 0.0009
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0123 0.0183
Brugia malayi Melibiase family protein 0.0082 0.1687 0.2519
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0279 0.6699 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0068 0.0101
Brugia malayi MH1 domain containing protein 0.0017 0.0009 0.0014
Leishmania major hypothetical protein, conserved 0.0019 0.0065 0.1809
Loa Loa (eye worm) pax transcription factor protein 2 0.0241 0.5731 0.8555
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0101
Schistosoma mansoni hypothetical protein 0.0043 0.0691 0.1031
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0123 0.0183
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0065 0.0065
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1395 0.1395
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0068 0.0101
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0279 0.6699 1
Brugia malayi MH1 domain containing protein 0.0017 0.0009 0.0014
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0691 0.0691
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0279 0.6699 0.6699
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0279 0.6699 0.6699
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0065 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0632 0.0943
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.274 0.4089
Toxoplasma gondii melibiase subfamily protein 0.0124 0.274 1
Entamoeba histolytica hypothetical protein 0.0043 0.0691 0.5
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0123 0.0123
Echinococcus granulosus Aminotransferase class III 0.0021 0.0123 0.0123
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0279 0.6699 1
Entamoeba histolytica hypothetical protein 0.0043 0.0691 0.5
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0021 0.0123 0.0362
Echinococcus granulosus smad 0.0017 0.0009 0.0009
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0019 0.0065 0.0237
Brugia malayi jmjC domain containing protein 0.0019 0.0065 0.0097
Brugia malayi jmjC domain containing protein 0.0019 0.0065 0.0097
Brugia malayi Smad1 0.0017 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.0148 0.3359 0.5014
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0065 0.1809
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0279 0.6699 0.6699
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0101
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0009 0.0009
Mycobacterium ulcerans hypothetical protein 0.0149 0.3391 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1395 0.2082
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.5862 0.8751
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0358 1
Brugia malayi Muscleblind-like protein 0.018 0.4187 0.625
Loa Loa (eye worm) Smad1 0.0017 0.0009 0.0014
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0358 1
Brugia malayi MH2 domain containing protein 0.0017 0.0009 0.0014
Brugia malayi MH2 domain containing protein 0.0017 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.0148 0.3359 0.5014
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.274 0.4089
Plasmodium vivax ornithine aminotransferase, putative 0.0021 0.0123 0.3429
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.274 0.274
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0065 0.0065
Brugia malayi jmjC domain containing protein 0.0019 0.0065 0.0097
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1395 0.2082
Plasmodium falciparum ornithine aminotransferase 0.0021 0.0123 0.3429
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0065 0.0097
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0021 0.0123 0.0362
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1395 0.1395
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0014
Leishmania major hypothetical protein, conserved 0.003 0.0358 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3359 0.487
Echinococcus granulosus Smad4 0.0017 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0065 0.0097
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0123 0.0123
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0065 0.0065
Brugia malayi MH2 domain containing protein 0.0246 0.5862 0.8751
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0068 0.0068
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0123 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0065 0.0097
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0101
Plasmodium vivax JmjC domain containing protein 0.0019 0.0065 0.1809
Loa Loa (eye worm) hypothetical protein 0.0187 0.4366 0.6517
Echinococcus multilocularis smad 0.0017 0.0009 0.0009
Brugia malayi hypothetical protein 0.003 0.0358 0.0535
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0065 0.0097
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0021 0.0123 0.0362
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0021 0.0123 0.0362
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0691 0.1031
Echinococcus multilocularis muscleblind protein 1 0.018 0.4187 0.4187
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0123 0.0123
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0019 0.0065 0.0237
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0065 0.0097
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0021 0.0123 0.0449
Mycobacterium tuberculosis Probable aminotransferase 0.0149 0.3391 1
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0065 0.0065
Brugia malayi jmjC domain containing protein 0.0071 0.1395 0.2082
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1395 0.2082
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.4366 0.7048
Echinococcus granulosus phd:f box containing protein 0.0019 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0101
Loa Loa (eye worm) hypothetical protein 0.006 0.1106 0.1651
Onchocerca volvulus 0.0241 0.5731 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.3359 0.487
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.274 0.274
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0358 0.1309
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0065 0.0065
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0009 0.0009
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0068 0.0068
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1687 0.2519
Schistosoma mansoni smad1 5 8 and 0.0017 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.018 0.4187 0.625
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0358 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0009 0.0014
Loa Loa (eye worm) hypothetical protein 0.006 0.1118 0.1669
Toxoplasma gondii Alpha-galactosidase 0.0018 0.0028 0.0103
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0065 0.1809
Brugia malayi jmjC domain containing protein 0.0071 0.1395 0.2082
Entamoeba histolytica hypothetical protein 0.0043 0.0691 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1118 0.1669
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0065 0.0097
Brugia malayi N-terminal motif family protein 0.0187 0.4366 0.6517
Echinococcus multilocularis GPCR, family 2 0.0019 0.0068 0.0068
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.274 0.274
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1118 0.1669
Schistosoma mansoni Smad4 0.0017 0.0009 0.0014
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0149 0.3391 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0065 0.0097
Brugia malayi Pax transcription factor protein 2 0.0241 0.5731 0.8555
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1395 0.1395
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0065 0.0097
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0279 0.6699 0.6699
Brugia malayi hypothetical protein 0.002 0.0083 0.0124
Loa Loa (eye worm) hypothetical protein 0.0041 0.0632 0.0943
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0101
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0123 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0279 0.6699 1
Schistosoma mansoni hypothetical protein 0.0041 0.0632 0.0943
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0691 0.0691
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.274 0.4089
Echinococcus granulosus muscleblind protein 0.018 0.4187 0.4187
Echinococcus granulosus GPCR family 2 0.0019 0.0068 0.0068
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.274 0.4089
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0068 0.0068
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0009 0.0014
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0068 0.0101

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 118.55 uM PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial cell-based high throughput dose response assay to identify inhibitors of RecBCD. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435030, AID449728, AID449731, AID488942, AID488955, AID488956] ChEMBL. No reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5973 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.9178 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) = 3.1623 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) 3.1623 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 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) 10.4179 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 14.1254 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) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS assay for re-activators of p53 using a Luc reporter: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) 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
Giardia lamblia
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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