Detailed information for compound 1350101

Basic information

Technical information
  • TDR Targets ID: 1350101
  • Name: [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
  • MW: 346.787 | Formula: C13H15ClN2O5S
  • H donors: 2 H acceptors: 4 LogP: 1.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CCS(=O)(=O)C1)COC(=O)c1cc(Cl)ccc1N
  • InChi: 1S/C13H15ClN2O5S/c14-8-1-2-11(15)10(5-8)13(18)21-6-12(17)16-9-3-4-22(19,20)7-9/h1-2,5,9H,3-4,6-7,15H2,(H,16,17)
  • InChiKey: YZQBKHSSBPICQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 2-amino-5-chloro-benzoate
  • 2-amino-5-chlorobenzoic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester
  • 2-amino-5-chloro-benzoic acid [2-[(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester
  • MLS000878000
  • SMR000376974
  • T5296555

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens kallikrein-related peptidase 7 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein kallikrein-related peptidase 7 181 aa 186 aa 32.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0139 0.0139
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0045 0.0856 1
Toxoplasma gondii phosphotransferase enzyme family protein 0.0045 0.0856 0.0589
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0139 0.0951
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0139 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0139 0.0139
Brugia malayi ecdysteroid receptor 0.0012 0.0139 0.0139
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0285 0.1944
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0062 0.0422
Echinococcus granulosus choline:ethanolamine kinase 0.0469 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0015
Brugia malayi Trypsin family protein 0.0007 0.0036 0.0036
Echinococcus granulosus cpg binding protein 0.0037 0.0667 0.0667
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0139 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0139 0.0951
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0007 0.0036 0.0036
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.1452 0.1452
Brugia malayi jmjC domain containing protein 0.0019 0.0285 0.0285
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0139 0.0139
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0015
Plasmodium falciparum choline kinase 0.0469 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0667 0.4557
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0015
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0015
Loa Loa (eye worm) choline/ethanolamine kinase 0.0469 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Brugia malayi hypothetical protein 0.0006 0.0015 0.0015
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0062 0.0062
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1452 0.1452
Plasmodium falciparum ethanolamine kinase 0.0045 0.0856 0.0589
Leishmania major choline/ethanolamine kinase, putative 0.0045 0.0856 1
Schistosoma mansoni choline kinase 0.0045 0.0856 0.5851
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0139 0.0139
Brugia malayi steroid hormone receptor 0.0012 0.0139 0.0139
Brugia malayi jmjC domain containing protein 0.0019 0.0285 0.0285
Loa Loa (eye worm) choline/ethanolamine kinase 0.0045 0.0856 0.0856
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0015
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0139 0.1625
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Echinococcus granulosus enteropeptidase 0.0007 0.0036 0.0036
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0139 0.0139
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0045 0.0856 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0139 0.1625
Echinococcus granulosus phd:f box containing protein 0.0019 0.0285 0.0285
Toxoplasma gondii phosphotransferase enzyme family protein 0.0045 0.0856 0.0589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0139 0.0139
Echinococcus granulosus glycoprotein Antigen 5 0.0007 0.0036 0.0036
Onchocerca volvulus 0.0007 0.0036 0.0419
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0139 0.0951
Schistosoma mansoni hypothetical protein 0.0007 0.0036 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0139 0.0139
Leishmania major choline kinase 0.0045 0.0856 1
Plasmodium vivax ethanolamine kinase, putative 0.0045 0.0856 0.0589
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0285 0.0285
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0285 0.0285
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0285 0.1944
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0045 0.0856 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0285 0.1944
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0139 0.0951
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0107 0.0107
Brugia malayi jmjC domain containing protein 0.0019 0.0285 0.0285
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0045 0.0856 0.5
Brugia malayi Trypsin family protein 0.0007 0.0036 0.0036
Loa Loa (eye worm) trypsin family protein 0.0007 0.0036 0.0036
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Mycobacterium ulcerans hypothetical protein 0.0007 0.0036 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0139 0.0139
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1409 0.9625
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0139 0.0139
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0285 0.0285
Echinococcus granulosus Mastin 0.0007 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0007 0.0036 0.0245
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0015
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0139 0.0139
Brugia malayi Choline/ethanolamine kinase family protein 0.0045 0.0856 0.0856
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0139 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0139 0.0139
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0045 0.0856 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0139 0.0139
Echinococcus granulosus ethanolamine kinase 2 0.0045 0.0856 0.0856
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0139 0.0139
Brugia malayi hypothetical protein 0.0007 0.0036 0.0036
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Schistosoma mansoni coup transcription factor 0.0012 0.0139 0.0951
Loa Loa (eye worm) hypothetical protein 0.0045 0.0856 0.0856
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Echinococcus multilocularis Mastin 0.0007 0.0036 0.0036
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Echinococcus multilocularis cpg binding protein 0.0037 0.0667 0.0667
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0285 0.0285
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0139 0.0139
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1452 0.9917
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1409 0.1409
Schistosoma mansoni cpg binding protein 0.0035 0.0624 0.4266
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0107 0.0107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0139 0.0139
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0139 0.0139
Echinococcus multilocularis transmembrane protease serine 3 0.0007 0.0036 0.0036
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0007 0.0036 0.0245
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0139 0.1625
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0139 0.0951
Trypanosoma brucei choline/ethanolamine kinase 0.0045 0.0856 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0139 0.0139
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1464 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0139 0.0139
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1409 0.1409
Echinococcus multilocularis enteropeptidase 0.0007 0.0036 0.0036
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0007 0.0036 0.0036
Brugia malayi nuclear receptor RXR 0.0006 0.0015 0.0015
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0139 0.0951
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0139 0.0139
Echinococcus multilocularis glycoprotein Antigen 5 0.0007 0.0036 0.0036
Brugia malayi CXXC zinc finger family protein 0.0035 0.0624 0.0624
Brugia malayi nuclear hormone receptor 0.0012 0.0139 0.0139
Brugia malayi jmjC domain containing protein 0.0019 0.0285 0.0285
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0285 0.0285
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0285 0.0285
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0139 0.0951
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0327 0.0327
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.1452 0.9917
Onchocerca volvulus 0.0045 0.0856 1
Giardia lamblia Ethanolamine kinase, putative 0.0045 0.0856 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0139 0.0139
Plasmodium vivax choline kinase, putative 0.0469 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0139 0.0139
Onchocerca volvulus 0.0035 0.0624 0.7291
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0139 0.0139
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Brugia malayi hypothetical protein 0.0006 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0019 0.0285 0.0285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0139 0.0139
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0285 0.0285
Trypanosoma cruzi choline kinase 0.0045 0.0856 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0139 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0139 0.0139
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0139 0.0951
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0139 0.0139
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0139 0.0951
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Onchocerca volvulus 0.0007 0.0036 0.0419
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0019 0.0285 0.0285
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0139 0.0139
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0007 0.0036 0.0036
Onchocerca volvulus 0.0007 0.0036 0.0419
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0327 0.0327
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0285 0.1944
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1294 0.1039
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0007 0.0036 0.0245
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0139 0.0139
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0007 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0139 0.0139
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Schistosoma mansoni cpg binding protein 0.0037 0.0667 0.4557
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0139 0.0139
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0139 0.0951
Brugia malayi jmjC domain containing protein 0.0071 0.1409 0.1409
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0015 0.0015
Echinococcus multilocularis ethanolamine kinase 2 0.0045 0.0856 0.0856
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0624 0.0624
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1409 0.1409
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0139 0.0951
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0285 0.0285
Toxoplasma gondii phosphotransferase enzyme family protein 0.0469 1 1
Onchocerca volvulus 0.0007 0.0036 0.0419
Brugia malayi Choline/ethanolamine kinase family protein 0.0045 0.0856 0.0856
Loa Loa (eye worm) choline Kinase A 0.0045 0.0856 0.0856
Onchocerca volvulus 0.0007 0.0036 0.0419
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Onchocerca volvulus 0.0012 0.0139 0.1625
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0139 0.0139
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0015 0.0102
Echinococcus granulosus transmembrane protease serine 3 0.0007 0.0036 0.0036
Brugia malayi Trypsin-like protease protein 5 0.0007 0.0036 0.0036
Brugia malayi nuclear receptor NHR-88 0.0012 0.0139 0.0139
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0015
Echinococcus multilocularis choline:ethanolamine kinase 0.0469 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Schistosoma mansoni cercarial elastase (S01 family) 0.0007 0.0036 0.0245
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0007 0.0036 0.0036
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0062 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0139 0.0139
Onchocerca volvulus 0.0007 0.0036 0.0419
Brugia malayi Trypsin family protein 0.0007 0.0036 0.0036
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0062 0.0062
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0285 0.0285
Schistosoma mansoni choline/ethanolamine kinase 0.0045 0.0856 0.5851
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0139 0.0951
Brugia malayi Trypsin family protein 0.0007 0.0036 0.0036
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0012 0.0139 0.0139
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0139 0.0139
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0104 0.0104
Trypanosoma brucei choline kinase 0.0045 0.0856 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0285 0.0285
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0139 0.0139
Brugia malayi jmjC domain containing protein 0.0073 0.1452 0.1452
Schistosoma mansoni choline/ethanolamine kinase 0.0045 0.0856 0.5851
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0285 0.0285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0139 0.0139
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0285 0.1944
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0015 0.0102

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) 7.722 uM PubChem BioAssay. Fluorescence Intensity-based biochemical primary high throughput dose response assay to identify activators of kallikrein-7 (K7) zymogen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.0224 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 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) = 10 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) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 50.1187 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 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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