Detailed information for compound 1291683

Basic information

Technical information
  • TDR Targets ID: 1291683
  • Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 9H -xanthene-9-carboxylate
  • MW: 403.384 | Formula: C23H17NO6
  • H donors: 1 H acceptors: 2 LogP: 3.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)OCO2)COC(=O)C1c2ccccc2Oc2c1cccc2
  • InChi: 1S/C23H17NO6/c25-21(24-14-9-10-19-20(11-14)29-13-28-19)12-27-23(26)22-15-5-1-3-7-17(15)30-18-8-4-2-6-16(18)22/h1-11,22H,12-13H2,(H,24,25)
  • InChiKey: CHARUDHDBMPZAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 9H-xanthene-9-carboxylate
  • 9H-xanthene-9-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester
  • 9H-xanthene-9-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester
  • Oprea1_374225
  • T0507-0201
  • SMR000066080
  • MLS000054395
  • ZINC03231606

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
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 Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.017 0.028
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.017 0.017
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.017 0.028
Schistosoma mansoni coup transcription factor 0.003 0.017 0.025
Brugia malayi acetyltransferase, GNAT family protein 0.0288 0.5914 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.017 0.025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.017 0.017
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0822 0.5762
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0822 0.5
Echinococcus granulosus snurportin 1 0.0329 0.6822 0.6822
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0297 0.0297
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.3604 0.6628
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.017 0.017
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0822 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.017 0.017
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0822 0.0822
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.282 0.4129
Schistosoma mansoni bromodomain containing protein 0.007 0.1059 0.1553
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0086 0.1423 1
Schistosoma mansoni ran 0.0023 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Echinococcus granulosus histone acetyltransferase KAT2B 0.0278 0.5683 0.5683
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.017 0.028
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.017 0.017
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0186 0.0186
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0551 0.0923
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.2686 0.2686
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0822 0.0822
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.017 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.017 0.0243
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.2686 0.4538
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.098 0.098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.017 0.028
Loa Loa (eye worm) hypothetical protein 0.0058 0.0796 0.1161
Echinococcus multilocularis geminin 0.0176 0.3424 0.3424
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0551 0.0551
Entamoeba histolytica hypothetical protein 0.0037 0.0333 0.2714
Onchocerca volvulus 0.0058 0.0796 0.1942
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0186 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.2686 0.2686
Schistosoma mansoni ran 0.0023 0.0005 0.0007
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0796 0.134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2686 0.3938
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0333 0.0333
Plasmodium falciparum histone acetyltransferase GCN5 0.0077 0.1215 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0559 0.0813
Brugia malayi RNA, U transporter 1 0.0088 0.145 0.2446
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.017 0.0243
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.017 0.017
Trichomonas vaginalis glucosylceramidase, putative 0.0185 0.3604 0.6628
Echinococcus granulosus GPCR family 2 0.0047 0.0551 0.0551
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0056 0.0095
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.017 0.025
Brugia malayi steroid hormone receptor 0.003 0.017 0.028
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Schistosoma mansoni hypothetical protein 0.0102 0.1769 0.2594
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0551 0.0551
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Leishmania major importin beta-1 subunit, putative 0.0025 0.0056 0.0628
Schistosoma mansoni zinc finger protein 0.0027 0.009 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.017 0.028
Loa Loa (eye worm) acetyltransferase 0.0288 0.5914 0.8668
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0056 0.0095
Echinococcus multilocularis lamin 0.0058 0.0796 0.0796
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.017 0.0243
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0551 0.08
Loa Loa (eye worm) hypothetical protein 0.0031 0.0186 0.0266
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.2686 0.2686
Schistosoma mansoni hypothetical protein 0.0047 0.0551 0.0807
Echinococcus multilocularis musashi 0.0058 0.0796 0.0796
Plasmodium falciparum importin beta, putative 0.0031 0.0186 0.1496
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0056 0.0095
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0056 1
Loa Loa (eye worm) steroid hormone receptor 0.003 0.017 0.0243
Schistosoma mansoni lamin 0.0058 0.0796 0.1168
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.2686 0.2686
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.017 0.028
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.282 0.4764
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0333 0.0333
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.017 0.017
Echinococcus granulosus lamin dm0 0.0058 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0086 0.1423 0.2612
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0796 0.1161
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.017 0.028
Echinococcus granulosus importin subunit beta 1 0.0031 0.0186 0.0186
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0267 0.5436 0.9191
Schistosoma mansoni hypothetical protein 0.0047 0.0551 0.0807
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.017 0.028
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.017 0.017
Entamoeba histolytica hypothetical protein 0.0037 0.0333 0.2714
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.017 0.017
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0195 0.0321
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.282 0.4764
Brugia malayi intermediate filament protein 0.0058 0.0796 0.134
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0288 0.5914 0.5914
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.1769 0.2986
Echinococcus granulosus geminin 0.0176 0.3424 0.3424
Loa Loa (eye worm) hypothetical protein 0.0027 0.0102 0.0142
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0333 0.0489
Brugia malayi nuclear receptor NHR-88 0.003 0.017 0.028
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0822 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0175 0.3395 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0551 0.0551
Loa Loa (eye worm) hypothetical protein 0.0071 0.1068 0.156
Schistosoma mansoni hypothetical protein 0.0176 0.3424 0.502
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.017 0.025
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0195 0.0278
Brugia malayi Steroid receptor seven-up type 2 0.003 0.017 0.028
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0267 0.5436 0.7967
Schistosoma mansoni thyroid hormone receptor 0.003 0.017 0.025
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.017 0.017
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0822 0.1205
Echinococcus granulosus histone acetyltransferase KAT2B 0.0086 0.1423 0.1423
Loa Loa (eye worm) hypothetical protein 0.0038 0.0351 0.0508
Echinococcus granulosus lamin 0.0058 0.0796 0.0796
Schistosoma mansoni hypothetical protein 0.0047 0.0551 0.0807
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0822 0.1205
Brugia malayi ecdysteroid receptor 0.003 0.017 0.028
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0297 0.0297
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.017 0.017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.2686 0.3934
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.098 0.098
Loa Loa (eye worm) hypothetical protein 0.0047 0.0551 0.08
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0822 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0716 0.0716
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Echinococcus granulosus FTZ F1 alpha 0.003 0.017 0.017
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0126 0.0126
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0822 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0025 0.0048 0.0063
Loa Loa (eye worm) hypothetical protein 0.0027 0.0102 0.0142
Brugia malayi follicle stimulating hormone receptor 0.0282 0.5774 0.9763
Schistosoma mansoni thyroid hormone receptor 0.003 0.017 0.025
Brugia malayi nuclear hormone receptor 0.003 0.017 0.028
Brugia malayi Bromodomain containing protein 0.0045 0.0505 0.0847
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.017 0.0243
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0288 0.5914 0.8669
Brugia malayi hypothetical protein 0.0037 0.0333 0.0556
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0005 0.0005
Entamoeba histolytica hypothetical protein 0.0037 0.0333 0.2714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2686 0.3938
Loa Loa (eye worm) hypothetical protein 0.0102 0.1769 0.2589
Schistosoma mansoni intermediate filament proteins 0.0058 0.0796 0.1168
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.017 0.028
Echinococcus granulosus intermediate filament protein 0.0058 0.0796 0.0796
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0186 0.1277
Brugia malayi Bromodomain containing protein 0.0082 0.1319 0.2224
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.017 0.025
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.017 0.017
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.017 0.025
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.017 0.025
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0716 0.0716
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.017 0.028
Echinococcus multilocularis snurportin 1 0.0329 0.6822 0.6822
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.017 0.017
Schistosoma mansoni lipoxygenase 0.0055 0.0716 0.1049
Schistosoma mansoni hypothetical protein 0.0037 0.0333 0.0489
Trichomonas vaginalis bromodomain-containing protein, putative 0.0086 0.1423 0.2612
Entamoeba histolytica hypothetical protein 0.0037 0.0333 0.2714
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0329 0.6822 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0773 0.1126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.017 0.0243
Brugia malayi PHD-finger family protein 0.0032 0.0208 0.0344
Plasmodium vivax importin-beta 2, putative 0.0031 0.0186 0.1277
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Brugia malayi Importin beta-1 subunit 0.0031 0.0186 0.0306
Schistosoma mansoni lamin 0.0058 0.0796 0.1168
Giardia lamblia Histone acetyltransferase GCN5 0.0077 0.1215 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.017 0.017
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0796 0.1161
Loa Loa (eye worm) hypothetical protein 0.0149 0.282 0.4129
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0282 0.5774 0.8462
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Schistosoma mansoni hypothetical protein 0.0047 0.0551 0.0807
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.4891 0.7168
Schistosoma mansoni nuclear hormone receptor 0.003 0.017 0.025
Schistosoma mansoni importin beta-1 0.0031 0.0186 0.0273
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.017 0.028
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0086 0.1423 1
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Echinococcus granulosus zinc finger protein 0.0027 0.009 0.009
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0126 0.0126
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.017 0.028
Entamoeba histolytica hypothetical protein 0.0025 0.0056 0.0424
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.017 0.017
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0086 0.1423 1
Schistosoma mansoni hypothetical protein 0.0176 0.3424 0.502
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3395 0.6242
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.017 0.028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.017 0.0243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.2686 0.3938
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0551 0.0923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.017 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0267 0.5436 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.017 0.025
Echinococcus multilocularis lamin dm0 0.0058 0.0796 0.0796
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0243
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.017 0.017
Brugia malayi MH2 domain containing protein 0.0242 0.4891 0.8269
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.017 0.025
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0551 0.0551
Onchocerca volvulus 0.0058 0.0796 0.1942
Schistosoma mansoni hypothetical protein 0.0329 0.6822 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0077 0.1215 1
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.017 0.025
Loa Loa (eye worm) hypothetical protein 0.005 0.0602 0.0875
Echinococcus multilocularis FTZ F1 alpha 0.003 0.017 0.017
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0186 1
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.4891 0.7168
Loa Loa (eye worm) hypothetical protein 0.0028 0.0126 0.0177
Echinococcus multilocularis zinc finger protein 0.0027 0.009 0.009
Echinococcus multilocularis GPCR, family 2 0.0047 0.0551 0.0551
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.017 0.028
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0005 0.0005

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 35.4813 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 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 Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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