Detailed information for compound 1398949

Basic information

Technical information
  • TDR Targets ID: 1398949
  • Name: (5Z)-1-(2-methylphenyl)-5-[(E)-3-(phenylamino )prop-2-enylidene]-1,3-diazinane-2,4,6-trione
  • MW: 347.367 | Formula: C20H17N3O3
  • H donors: 2 H acceptors: 3 LogP: 3.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)N(C(=O)/C/1=C\C=C\Nc1ccccc1)c1ccccc1C
  • InChi: 1S/C20H17N3O3/c1-14-8-5-6-12-17(14)23-19(25)16(18(24)22-20(23)26)11-7-13-21-15-9-3-2-4-10-15/h2-13,21H,1H3,(H,22,24,26)/b13-7+,16-11-
  • InChiKey: CLXRCDAPFXURLT-LZHOECQMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-1-(2-methylphenyl)-5-[(E)-3-(phenylamino)prop-2-enylidene]hexahydropyrimidine-2,4,6-trione
  • (5Z)-1-(2-methylphenyl)-5-[(E)-3-(phenylamino)prop-2-enylidene]barbituric acid
  • ZINC04817410
  • STOCK2S-09265
  • 5-[(E)-3-Phenylamino-prop-2-en-(Z)-ylidene]-1-o-tolyl-pyrimidine-2,4,6-trione
  • MLS000587896
  • SMR000211905

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens thyrotropin-releasing hormone receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus thyrotropin releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis thyrotropin releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni thyrotropin-releasing hormone receptor Get druggable targets OG5_133661 All targets in OG5_133661
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04282 thyrotropin-releasing hormone receptor, putative Get druggable targets OG5_133661 All targets in OG5_133661
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi larval opioid receptor thyrotropin-releasing hormone receptor 398 aa 324 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.2828 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2663 0.2663
Loa Loa (eye worm) hypothetical protein 0.0108 0.2663 0.2663
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.2663 0.2614
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1182 0.1702
Echinococcus multilocularis carbonic anhydrase 0.0108 0.2663 0.3365
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0108 0.2663 0.2614
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.02 0.5284 0.5253
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.02 0.5284 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.2663 0.2614
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0291 0.7881 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0291 0.7881 1
Echinococcus multilocularis carbonic anhydrase II 0.02 0.5284 0.6698
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0844 0.0783
Giardia lamblia Kinase, PLK 0.0114 0.2828 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.2828 0.3575
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0066 0.0066
Echinococcus granulosus carbonic anhydrase II 0.02 0.5284 0.6698
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0108 0.2663 0.2663
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.2663 0.2614
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0291 0.7881 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1182 0.1702
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0844 0.1052
Trypanosoma brucei polo-like protein kinase 0.0114 0.2828 0.4469
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.2828 0.2828
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.2828 0.278
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3689 0.3689
Loa Loa (eye worm) hypothetical protein 0.0108 0.2663 0.2663
Loa Loa (eye worm) carbonic anhydrase 3 0.02 0.5284 0.5284
Echinococcus multilocularis lamin dm0 0.0033 0.0499 0.0612
Plasmodium falciparum carbonic anhydrase 0.0108 0.2663 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0499 0.0499
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Schistosoma mansoni carbonic anhydrase 0.0108 0.2663 0.2932
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3689 0.3689
Echinococcus multilocularis carbonic anhydrase 0.0108 0.2663 0.3365
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0844 0.1052
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0844 0.0468
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.2663 0.2932
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.02 0.5284 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0108 0.2663 0.2614
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0844 0.0468
Schistosoma mansoni hypothetical protein 0.0108 0.2663 0.2932
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0844 0.1052
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.02 0.5284 0.6482
Loa Loa (eye worm) hypothetical protein 0.0045 0.0844 0.0844
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.2828 0.3156
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.2828 0.3575
Loa Loa (eye worm) hypothetical protein 0.0033 0.0499 0.0499
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2828 0.4469
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0499 0.0499
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0844 0.1052
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.2828 0.4469
Echinococcus granulosus lamin dm0 0.0033 0.0499 0.0612
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.02 0.5284 0.6482
Echinococcus multilocularis lamin 0.0033 0.0499 0.0612
Echinococcus granulosus lamin 0.0033 0.0499 0.0612
Brugia malayi Putative carbonic anhydrase 5 precursor 0.02 0.5284 0.5253
Brugia malayi MH2 domain containing protein 0.0144 0.3689 0.3647
Echinococcus granulosus carbonic anhydrase 0.0108 0.2663 0.3365
Echinococcus multilocularis musashi 0.0033 0.0499 0.0612
Trypanosoma brucei carbonic anhydrase-like protein 0.02 0.5284 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.2828 0.4469
Echinococcus granulosus intermediate filament protein 0.0033 0.0499 0.0612
Schistosoma mansoni kinase 0.0058 0.1225 0.0984
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.2828 0.2452
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.2663 0.2932
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0844 0.1052
Echinococcus granulosus carbonic anhydrase 0.0108 0.2663 0.3365
Echinococcus granulosus carbonic anhydrase 0.0108 0.2663 0.3365
Schistosoma mansoni carbonic anhydrase-related 0.0108 0.2663 0.2932
Loa Loa (eye worm) hypothetical protein 0.0032 0.0482 0.0482
Leishmania major carbonic anhydrase-like protein 0.02 0.5284 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0844 0.1052
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0499 0.0435
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.2828 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.02 0.5284 0.5284
Echinococcus multilocularis carbonic anhydrase 0.0108 0.2663 0.3365
Toxoplasma gondii hypothetical protein 0.0108 0.2663 0.5
Brugia malayi intermediate filament protein 0.0033 0.0499 0.0435

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6513 uM PUBCHEM_BIOASSAY: qHTS for Small Molecule Agonists and Allosteric Enhancers of Human TRH Receptor: Confirmation Screen for Enhancers. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485365] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 12.5893 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) 13.3714 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS for Small Molecule Agonists and Allosteric Enhancers of Human TRH Receptor: Confirmation Screen for Agonists. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485365, AID493056] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 25.929 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) 29.0929 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 70.7946 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) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.