Detailed information for compound 1245328

Basic information

Technical information
  • TDR Targets ID: 1245328
  • Name: N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpipe ridine-3-carboxamide
  • MW: 378.509 | Formula: C18H22N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)NC(=O)C1CCCN(C1)S(=O)(=O)c1cccs1
  • InChi: 1S/C18H22N2O3S2/c1-2-14-6-3-8-16(12-14)19-18(21)15-7-4-10-20(13-15)25(22,23)17-9-5-11-24-17/h3,5-6,8-9,11-12,15H,2,4,7,10,13H2,1H3,(H,19,21)
  • InChiKey: RPVJOFUOUDWRGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-ethylphenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide
  • N-(3-ethylphenyl)-1-(2-thienylsulfonyl)-3-piperidinecarboxamide
  • N-(3-ethylphenyl)-1-(2-thienylsulfonyl)nipecotamide
  • N-(3-ethylphenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide
  • C259-0794
  • NCGC00106471-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0943 0.0943
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0942 0.2837
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0943 0.1258
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0601 0.1811
Loa Loa (eye worm) RNA binding protein 0.0064 0.1727 0.3571
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0943 0.2841
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Loa Loa (eye worm) peptidase family M1 containing protein 0.0095 0.2942 0.6084
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0091 0.2761 0.7248
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0601 0.1811
Mycobacterium ulcerans hypothetical protein 0.0043 0.0943 0.1258
Mycobacterium tuberculosis Conserved protein 0.0043 0.0943 0.0943
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0943 0.1258
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0105 0.332 1
Schistosoma mansoni solute carrier family 12 electroneutral k-cl cotransporter 0.0099 0.3073 0.9257
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0853 0.1765
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0943 0.2841
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1727 0.5201
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0105 0.332 0.5
Loa Loa (eye worm) amino acid permease 0.0099 0.3073 0.6355
Echinococcus granulosus aminopeptidase N 0.0118 0.381 1
Onchocerca volvulus 0.0043 0.0943 0.1066
Mycobacterium ulcerans lipase LipD 0.0043 0.0943 0.1258
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Loa Loa (eye worm) hypothetical protein 0.0083 0.2471 0.5111
Mycobacterium ulcerans beta-lactamase 0.0043 0.0943 0.1258
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1727 0.5201
Brugia malayi RNA binding protein 0.0064 0.1727 0.3571
Echinococcus multilocularis solute carrier family 12 0.0099 0.3073 0.8066
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Brugia malayi Amino acid permease family protein 0.0099 0.3073 0.6355
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0943 0.2476
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0105 0.332 0.6865
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0035 0.0601 0.1811
Trypanosoma cruzi aminopeptidase, putative 0.0035 0.0601 0.1811
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0943 0.0943
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0105 0.332 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Brugia malayi hypothetical protein 0.0043 0.0942 0.1948
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0035 0.0601 0.1578
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Echinococcus multilocularis fk506 binding protein 0.0105 0.332 0.8713
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0105 0.332 0.8713
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0035 0.0601 0.1811
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1727 0.5201
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0105 0.332 1
Trichomonas vaginalis fk506-binding protein, putative 0.0105 0.332 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Echinococcus granulosus tar DNA binding protein 0.0064 0.1727 0.4532
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0105 0.332 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0943 0.1258
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Schistosoma mansoni immunophilin 0.0105 0.332 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0943 0.0943
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0943 0.0943
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0943 0.1951
Onchocerca volvulus 0.0043 0.0943 0.1066
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Loa Loa (eye worm) aminopeptidase N 0.0035 0.0601 0.1243
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.4835 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0105 0.332 0.8713
Onchocerca volvulus 0.0118 0.381 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0091 0.2761 0.7248
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0943 0.1951
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.159 0.3287
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.027
Schistosoma mansoni immunophilin 0.0105 0.332 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0105 0.332 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0942 0.2472
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.1727 0.3571
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0601 0.1811
Schistosoma mansoni hypothetical protein 0.0041 0.0853 0.257
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0105 0.332 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0943 0.0943
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0943 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0942 0.1254
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0105 0.332 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0105 0.332 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0105 0.332 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 0.332 1
Brugia malayi MH2 domain containing protein 0.0144 0.4835 1
Brugia malayi beta-lactamase 0.0043 0.0943 0.1951
Leishmania major hypothetical protein, conserved 0.0043 0.0943 0.2841
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0943 0.2476
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0943 0.2841
Brugia malayi beta-lactamase family protein 0.0043 0.0943 0.1951
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Entamoeba histolytica hypothetical protein 0.0043 0.0942 0.1254
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0943 0.0943
Leishmania major peptidylprolyl isomerase-like protein 0.0105 0.332 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0943 0.2841
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0105 0.332 1
Loa Loa (eye worm) TAR-binding protein 0.0064 0.1727 0.3571
Onchocerca volvulus 0.0043 0.0943 0.1066
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Brugia malayi TAR-binding protein 0.0064 0.1727 0.3571
Trichomonas vaginalis esterase, putative 0.0043 0.0943 0.1258
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0943 0.1258
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0943 0.1258
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.027
Brugia malayi beta-lactamase family protein 0.0043 0.0943 0.1951
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Toxoplasma gondii ABC1 family protein 0.0043 0.0943 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0105 0.332 1
Entamoeba histolytica hypothetical protein 0.0043 0.0942 0.1254
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0943 0.1258
Mycobacterium tuberculosis Conserved protein 0.0043 0.0943 0.0943
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Schistosoma mansoni hypothetical protein 0.0043 0.0942 0.2837
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Loa Loa (eye worm) hypothetical protein 0.006 0.159 0.3287
Loa Loa (eye worm) hypothetical protein 0.0085 0.2531 0.5234
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.159 0.3287
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.159 0.3287
Brugia malayi Peptidase family M1 containing protein 0.0118 0.381 0.7879
Loa Loa (eye worm) hypothetical protein 0.0105 0.3339 0.6906
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 0.332 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0943 0.2841
Loa Loa (eye worm) hypothetical protein 0.0099 0.3073 0.6355
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0105 0.332 0.6865
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0601 0.1243
Loa Loa (eye worm) FKBP5 protein 0.0105 0.332 0.6865
Mycobacterium leprae Probable lipase LipE 0.0043 0.0943 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Echinococcus multilocularis tar DNA binding protein 0.0064 0.1727 0.4532
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0022 0.013 0.0393
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.1727 0.3571
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.4835 1
Entamoeba histolytica hypothetical protein 0.0043 0.0942 0.1254
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0943 0.0943
Loa Loa (eye worm) hypothetical protein 0.0043 0.0943 0.1951
Schistosoma mansoni immunophilin 0.0091 0.2761 0.8318
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0035 0.0601 0.1811
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0105 0.332 0.6865
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0022 0.013 0.0342
Brugia malayi Hypothetical 112.3 kDa protein K02A2.3 in chromosome II 0.0099 0.3073 0.6355
Loa Loa (eye worm) beta-lactamase 0.0043 0.0943 0.1951
Echinococcus multilocularis aminopeptidase N 0.0118 0.381 1
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1727 0.5201
Loa Loa (eye worm) hypothetical protein 0.0041 0.0853 0.1765
Echinococcus granulosus solute carrier family 12 0.0099 0.3073 0.8066
Loa Loa (eye worm) hypothetical protein 0.0091 0.2761 0.5711
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0035 0.0601 0.1811
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0105 0.332 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0035 0.0601 0.1811
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0943 0.0943
Schistosoma mansoni tar DNA-binding protein 0.0064 0.1727 0.5201
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0105 0.332 0.5
Leishmania major fk506-binding protein 1-like protein 0.0105 0.332 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0601 0.1578
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0105 0.332 0.8713
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 0.332 1
Trichomonas vaginalis immunophilin, putative 0.0105 0.332 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0601 0.1811
Brugia malayi hypothetical protein 0.0035 0.0601 0.1243
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0022 0.013 0.0393
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0943 0.1258
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0942 0.2472
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0943 0.2841

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 7.3753 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 16.3601 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) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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 (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

Bibliographic References

No literature references available for this target.

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