Detailed information for compound 1451197

Basic information

Technical information
  • TDR Targets ID: 1451197
  • Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)su lfanyl]-N-(2-cyanophenyl)acetamide
  • MW: 324.357 | Formula: C16H12N4O2S
  • H donors: 2 H acceptors: 5 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1NC(=O)CSc1nc(O)cc(c1C#N)C
  • InChi: 1S/C16H12N4O2S/c1-10-6-14(21)20-16(12(10)8-18)23-9-15(22)19-13-5-3-2-4-11(13)7-17/h2-6H,9H2,1H3,(H,19,22)(H,20,21)
  • InChiKey: FSYWOQMBGSTWII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]-N-(2-cyanophenyl)acetamide
  • 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]-N-(2-cyanophenyl)acetamide
  • 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]-N-(2-cyanophenyl)ethanamide
  • T0514-5696
  • ZINC03278312
  • MLS000564220
  • SMR000151707

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum M17 leucyl aminopeptidase Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum putative leucine aminopeptidase; of possible plant or bacterial origin Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium leprae Probable cytosol aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium falciparum M17 leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania infantum cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Toxoplasma gondii leucyl aminopeptidase LAP Get druggable targets OG5_127293 All targets in OG5_127293
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma congolense metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani cytosolic leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva leucine aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis leucine aminopeptidase protein Get druggable targets OG5_127293 All targets in OG5_127293
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii putative leucine aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei gambiense cytosolic leucyl aminopeptidase, putative,metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Probable cytosol aminopeptidase, related Get druggable targets OG5_127293 All targets in OG5_127293
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Mycobacterium tuberculosis Probable aminopeptidase PepB Get druggable targets OG5_127293 All targets in OG5_127293
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium vivax M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium knowlesi M17 leucyl aminopeptidase, putative Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative Get druggable targets OG5_127293 All targets in OG5_127293
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 Get druggable targets OG5_127293 All targets in OG5_127293
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Chlamydia trachomatis cytosol aminopeptidase Get druggable targets OG5_127293 All targets in OG5_127293
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0136 0.2733 0.2733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0136 0.2733 0.3009
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0136 0.2733 0.2733
Schistosoma mansoni nuclear receptor 0.0064 0.0793 0.0874
Echinococcus multilocularis thyroid hormone receptor alpha 0.0279 0.657 0.7235
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0127 0.2496 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0167 0.3556 1
Echinococcus granulosus nuclear receptor nhr 48 0.0064 0.0793 0.0874
Toxoplasma gondii leucyl aminopeptidase LAP 0.0127 0.2496 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0272 0.03
Plasmodium falciparum M17 leucyl aminopeptidase 0.0127 0.2496 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0064 0.0793 0.0874
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Loa Loa (eye worm) DR-78 0.0064 0.0793 0.0874
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0033 0.0036
Brugia malayi nuclear receptor NHR-88 0.0136 0.2733 0.2733
Schistosoma mansoni RAR-like nuclear receptor 0.0136 0.2733 0.3009
Echinococcus multilocularis ecdysone induced protein 78C 0.0136 0.2733 0.3009
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0072 0.1001 0.1102
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0127 0.2496 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0064 0.0793 0.0793
Echinococcus multilocularis geminin 0.0198 0.4396 0.4841
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0064 0.0793 0.0874
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0142 0.2899 0.3192
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Loa Loa (eye worm) hypothetical protein 0.0334 0.8061 0.8877
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0272 0.03
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0136 0.2733 0.3009
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0127 0.2496 0.6439
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.058 0.0639
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0072 0.1001 0.1102
Brugia malayi tailless protein 0.0064 0.0793 0.0793
Brugia malayi hypothetical protein 0.0064 0.0793 0.0793
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0127 0.2496 0.5
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0127 0.2496 1
Echinococcus multilocularis snurportin 1 0.0372 0.908 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0033 0.0133
Loa Loa (eye worm) hypothetical protein 0.0072 0.1001 0.1102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0142 0.2899 0.3192
Onchocerca volvulus 0.0064 0.0793 0.1031
Brugia malayi ecdysteroid receptor 0.031 0.7407 0.7407
Schistosoma mansoni thyroid hormone receptor 0.0279 0.657 0.7235
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0272 0.03
Echinococcus granulosus Nuclear hormone receptor HR96 0.0064 0.0793 0.0874
Echinococcus multilocularis leucine aminopeptidase protein 0.0127 0.2496 0.2749
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0136 0.2733 0.3661
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0272 0.03
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5835 0.6426
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0341 0.8262 0.5
Brugia malayi ecdysone receptor 0.0064 0.0793 0.0793
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.058 0.0639
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0342 0.8268 0.9106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0136 0.2733 0.3009
Brugia malayi nuclear hormone receptor 0.0136 0.2733 0.2733
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0064 0.0793 0.0874
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0272 0.03
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0136 0.2733 0.3009
Schistosoma mansoni retinoic acid receptor RXR 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0036 0.0033 0.0036
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Schistosoma mansoni nuclear hormone receptor 0.0136 0.2733 0.3009
Echinococcus granulosus leucine aminopeptidase protein 0.0127 0.2496 0.2749
Schistosoma mansoni nuclear receptor nhr-48 0.0064 0.0793 0.0874
Brugia malayi nuclear receptor NHR-67 0.0064 0.0793 0.0793
Schistosoma mansoni zinc finger protein 0.0064 0.0793 0.0874
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0272 0.03
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0272 0.03
Schistosoma mansoni hypothetical protein 0.0198 0.4396 0.4841
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0167 0.3556 1
Brugia malayi Nuclear hormone receptor-like 1 0.0342 0.8268 0.8268
Treponema pallidum fructose-bisphosphate aldolase 0.0341 0.8262 0.5
Echinococcus granulosus geminin 0.0198 0.4396 0.4841
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0072 0.1001 0.1102
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0272 0.0272
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0127 0.2496 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0033 0.0036
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0136 0.2733 0.3009
Brugia malayi hypothetical protein 0.0072 0.1001 0.1001
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0136 0.2733 0.3009
Echinococcus multilocularis FTZ F1 alpha 0.0136 0.2733 0.3009
Schistosoma mansoni steroid hormone receptor ad4bp 0.0136 0.2733 0.3009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0136 0.2733 0.2733
Brugia malayi Pre-SET motif family protein 0.0251 0.5835 0.5835
Loa Loa (eye worm) hypothetical protein 0.0072 0.1001 0.1102
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0064 0.0793 0.0874
Brugia malayi hypothetical protein 0.0072 0.1001 0.1001
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0072 0.1001 0.1102
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.058 0.058
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0136 0.2733 0.3009
Echinococcus granulosus Nuclear hormone receptor HR96 0.0064 0.0793 0.0874
Schistosoma mansoni nuclear receptor 0.0064 0.0793 0.0874
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0064 0.0793 0.0874
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0793 0.0874
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0136 0.2733 0.2733
Chlamydia trachomatis cytosol aminopeptidase 0.0127 0.2496 0.5
Schistosoma mansoni coup transcription factor 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Echinococcus multilocularis nuclear receptor nhr 48 0.0064 0.0793 0.0874
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Schistosoma mansoni nuclear hormone receptor 0.0064 0.0793 0.0874
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Schistosoma mansoni hypothetical protein 0.0372 0.908 1
Brugia malayi Nuclear hormone receptor E75 0.0064 0.0793 0.0793
Brugia malayi steroid hormone receptor 0.0136 0.2733 0.2733
Onchocerca volvulus 0.0136 0.2733 0.3661
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0136 0.2733 0.2733
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0136 0.2733 0.3009
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0136 0.2733 0.3009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0136 0.2733 0.2733
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0136 0.2733 0.3009
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0136 0.2733 0.2733
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.908 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0136 0.2733 0.3009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Brugia malayi nuclear receptor RXR 0.0064 0.0793 0.0793
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0072 0.1001 0.1102
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0793 0.0874
Schistosoma mansoni hypothetical protein 0.0198 0.4396 0.4841
Brugia malayi Pre-SET motif family protein 0.0036 0.0033 0.0033
Echinococcus granulosus ecdysone induced protein 78C 0.0136 0.2733 0.3009
Loa Loa (eye worm) nuclear hormone receptor 0.0064 0.0793 0.0874
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0064 0.0793 0.1031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0478 0.0526
Brugia malayi nuclear receptor RXR 0.0072 0.1001 0.1001
Brugia malayi hypothetical protein 0.0064 0.0793 0.0793
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0136 0.2733 0.3009
Brugia malayi Nuclear hormone receptor E75 0.0064 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0136 0.2733 0.2733
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0127 0.2496 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0136 0.2733 0.3661
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0136 0.2733 0.3009
Schistosoma mansoni nuclear hormone receptor 0.0064 0.0793 0.0874
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0072 0.1001 0.1102
Brugia malayi nuclear hormone receptor 0.0064 0.0793 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0136 0.2733 0.2733
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0136 0.2733 0.2733
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0167 0.3556 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0064 0.0793 0.0874
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0272 0.03
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0136 0.2733 0.3009
Echinococcus granulosus FTZ F1 alpha 0.0136 0.2733 0.3009
Onchocerca volvulus 0.0064 0.0793 0.1031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0136 0.2733 0.3009
Loa Loa (eye worm) hypothetical protein 0.031 0.7407 0.8157
Brugia malayi Nuclear hormone receptor-like 1 0.0342 0.8268 0.8268
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0136 0.2733 0.3009
Echinococcus granulosus snurportin 1 0.0372 0.908 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0033 0.0036
Loa Loa (eye worm) steroid hormone receptor 0.0136 0.2733 0.3009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0033 0.0036
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0136 0.2733 0.3009
Brugia malayi nuclear receptor NHR-88 0.0064 0.0793 0.0793
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0136 0.2733 0.3009
Brugia malayi nuclear hormone receptor family member odr-7 0.0064 0.0793 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0136 0.2733 0.2733
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.058 0.0639
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0033 0.0036
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0064 0.0793 0.1031
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0064 0.0793 0.0874
Loa Loa (eye worm) hypothetical protein 0.0136 0.2733 0.3009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Brugia malayi orphan nuclear receptor NR2E1 0.0064 0.0793 0.0793
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0341 0.8262 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0033 0.0036
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0064 0.0793 0.0874
Brugia malayi Steroid receptor seven-up type 2 0.0136 0.2733 0.2733
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0136 0.2733 0.2733
Loa Loa (eye worm) nuclear receptor NHR-67 0.0064 0.0793 0.0874
Schistosoma mansoni thyroid hormone receptor 0.0279 0.657 0.7235
Onchocerca volvulus 0.0286 0.6771 0.9138
Brugia malayi conserved hypotetical protein 0.0064 0.0793 0.0793
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0136 0.2733 0.3009
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0136 0.2733 0.3009
Brugia malayi RNA, U transporter 1 0.0099 0.173 0.173
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0033 0.0036
Onchocerca volvulus Bile acid receptor homolog 0.031 0.7407 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1001 0.1102
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0136 0.2733 0.2733
Mycobacterium ulcerans leucyl aminopeptidase 0.0127 0.2496 0.6439
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0341 0.8262 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0033 0.0133
Loa Loa (eye worm) hypothetical protein 0.0064 0.0793 0.0874
Brugia malayi nuclear hormone receptor family member nhr-6 0.0064 0.0793 0.0793
Schistosoma mansoni hypothetical protein 0.0142 0.2899 0.3192
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0136 0.2733 0.3009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0136 0.2733 0.3009
Echinococcus granulosus thyroid hormone receptor alpha 0.0064 0.0793 0.0874
Brugia malayi photoreceptor-specific nuclear receptor 0.0136 0.2733 0.2733
Giardia lamblia Fructose-bisphosphate aldolase 0.0341 0.8262 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.9 um PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminopeptidase (M17LAP). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 8.9125 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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 for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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