Detailed information for compound 1300883

Basic information

Technical information
  • TDR Targets ID: 1300883
  • Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4 -ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-di hydro-1,4-benzodioxin-7-yl)ethanone
  • MW: 484.614 | Formula: C22H20N4O3S3
  • H donors: 0 H acceptors: 4 LogP: 4.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1CSc1nc2c(s1)cccc2
  • InChi: 1S/C22H20N4O3S3/c1-2-26-20(13-31-22-23-15-5-3-4-6-19(15)32-22)24-25-21(26)30-12-16(27)14-7-8-17-18(11-14)29-10-9-28-17/h3-8,11H,2,9-10,12-13H2,1H3
  • InChiKey: XHQVENITQKTGSB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-(2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
  • T5230158
  • MLS000058232
  • SMR000063322
  • MLS000888272

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, 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
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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
Onchocerca volvulus 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
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis lamin dm0 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum hypothetical protein 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
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis 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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, 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 lamin 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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
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
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
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.1778 0.1778
Schistosoma mansoni lamin 0.0033 0.0388 0.0923
Loa Loa (eye worm) hypothetical protein 0.0033 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0175 0.347 0.347
Loa Loa (eye worm) Smad1 0.0033 0.0389 0.0389
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0025
Echinococcus granulosus lamin dm0 0.0033 0.0388 0.2183
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0169 0.0948
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0067 0.1124 0.6324
Loa Loa (eye worm) transcription factor SMAD2 0.0478 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0915 0.5601
Schistosoma mansoni lamin 0.0033 0.0388 0.0923
Loa Loa (eye worm) hypothetical protein 0.0032 0.0375 0.0375
Brugia malayi MH1 domain containing protein 0.0033 0.0389 0.0389
Brugia malayi intermediate filament protein 0.0033 0.0388 0.0388
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.3674 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0067 0.1124 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0307 0.6297 0.6297
Loa Loa (eye worm) hypothetical protein 0.0307 0.6297 0.6297
Schistosoma mansoni hypothetical protein 0.021 0.4205 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0067 0.1124 0.6324
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0649 0.365
Schistosoma mansoni hypothetical protein 0.0022 0.0169 0.0401
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.1778 0.1778
Schistosoma mansoni hypothetical protein 0.0097 0.1778 0.4227
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0389 0.0389
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0067 0.1124 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0185 0.3674 0.3674
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0389 0.2186
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1024 0.2435
Brugia malayi MH2 domain containing protein 0.0033 0.0389 0.0389
Onchocerca volvulus 0.0185 0.3674 1
Echinococcus multilocularis lamin dm0 0.0033 0.0388 0.2183
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.347 0.9446
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0389 0.2186
Brugia malayi MH1 domain containing protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1024 0.1024
Schistosoma mansoni hypothetical protein 0.0097 0.1778 0.4227
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0067 0.1124 0.6324
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0062 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1024 0.2435
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0128 0.2444 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1024 0.5761
Echinococcus granulosus tar DNA binding protein 0.0062 0.1024 0.5761
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0649 0.365
Loa Loa (eye worm) nuclear factor I 0.0018 0.0075 0.0075
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1024 0.1024
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.3674 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0762 0.0762
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0924
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.3674 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1024 0.2435
Schistosoma mansoni intermediate filament proteins 0.0033 0.0388 0.0923
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0025 0.0139
Brugia malayi Latrophilin receptor protein 2 0.0097 0.1778 0.1778
Echinococcus multilocularis GPCR, family 2 0.0097 0.1778 1
Echinococcus multilocularis musashi 0.0033 0.0388 0.2183
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0185 0.3674 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0012
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0649 0.1543
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0169 0.0948
Brugia malayi Smad1 0.0033 0.0389 0.0389
Loa Loa (eye worm) isocitrate dehydrogenase 0.0067 0.1124 0.1124
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0097 0.1778 0.4227
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.1124 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0649 0.365
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.1124 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0649 0.365
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0185 0.3674 1
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.4205 0.4205
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0915 0.088
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0389 0.2186
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0649 0.0649
Leishmania major hypothetical protein, conserved 0.005 0.0762 0.2383
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.1124 0.6324
Loa Loa (eye worm) hypothetical protein 0.021 0.4205 0.4205
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0762 0.2383
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0649 0.365
Loa Loa (eye worm) hypothetical protein 0.0015 0.0012 0.0012
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.3674 1
Echinococcus granulosus Smad4 0.0033 0.0389 0.2186
Brugia malayi isocitrate dehydrogenase 0.0067 0.1124 0.1124
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0915 0.5601
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1024 0.2435
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0915 0.088
Echinococcus granulosus smad 0.0033 0.0389 0.2186
Brugia malayi Isocitrate dehydrogenase 0.0067 0.1124 0.1124
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.1778 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.3674 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0067 0.1124 1
Brugia malayi N-terminal motif family protein 0.0175 0.347 0.347
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0924
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0762 0.2383
Loa Loa (eye worm) MH2 domain-containing protein 0.0478 1 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0388 0.0388
Leishmania major hypothetical protein, conserved 0.0057 0.0915 0.5601
Loa Loa (eye worm) hypothetical protein 0.0097 0.1778 0.1778
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0915 0.5601
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0389 0.2186
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0388 0.0388
Echinococcus multilocularis Smad4 0.0033 0.0389 0.2186
Schistosoma mansoni Smad4 0.0033 0.0389 0.0924
Brugia malayi hypothetical protein 0.0032 0.0381 0.0381
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0389 0.0924
Echinococcus multilocularis lamin 0.0033 0.0388 0.2183
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0762 0.2383
Loa Loa (eye worm) RNA binding protein 0.0062 0.1024 0.1024
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0067 0.1124 1
Toxoplasma gondii isocitrate dehydrogenase 0.0067 0.1124 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0388 0.2183
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0185 0.3674 1
Schistosoma mansoni smad1 5 8 and 0.0033 0.0389 0.0924
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.1124 0.6324
Echinococcus multilocularis smad 0.0033 0.0389 0.2186
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0185 0.3674 0.3674
Loa Loa (eye worm) hypothetical protein 0.0018 0.0075 0.0075
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.1778 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0067 0.1124 0.2673
Brugia malayi MH1 domain containing protein 0.0018 0.0075 0.0075
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1024 0.1024
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0185 0.3674 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0307 0.6297 0.6297
Echinococcus granulosus GPCR family 2 0.0097 0.1778 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.1778 1
Schistosoma mansoni smad 0.0033 0.0389 0.0924
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0649 0.1543
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0307 0.6297 0.6297
Brugia malayi hypothetical protein 0.005 0.0762 0.0762
Echinococcus granulosus lamin 0.0033 0.0388 0.2183
Onchocerca volvulus 0.0033 0.0388 0.1057
Brugia malayi MH1 domain containing protein 0.0033 0.0389 0.0389
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0389 0.0389
Brugia malayi RNA binding protein 0.0062 0.1024 0.1024
Schistosoma mansoni hypothetical protein 0.0097 0.1778 0.4227
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0045 0.0649 0.0649
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0649 0.365
Brugia malayi MH2 domain containing protein 0.0033 0.0389 0.0389
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0185 0.3674 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.1778 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0067 0.1124 0.6324
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0067 0.1124 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0025 0.0139
Brugia malayi TAR-binding protein 0.0062 0.1024 0.1024
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1024 0.2435
Onchocerca volvulus 0.0033 0.0388 0.1057

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.651 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) = 2.8184 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. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 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 (functional) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 28.1838 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 53.5818 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 Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 125.8925 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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