Detailed information for compound 827943

Basic information

Technical information
  • TDR Targets ID: 827943
  • Name: 3-(4-ethylbenzoyl)-6,7-dimethoxy-1-(phenylmet hyl)quinolin-4-one
  • MW: 427.492 | Formula: C27H25NO4
  • H donors: 0 H acceptors: 2 LogP: 5.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(=O)c(cn(c2cc1OC)Cc1ccccc1)C(=O)c1ccc(cc1)CC
  • InChi: 1S/C27H25NO4/c1-4-18-10-12-20(13-11-18)26(29)22-17-28(16-19-8-6-5-7-9-19)23-15-25(32-3)24(31-2)14-21(23)27(22)30/h5-15,17H,4,16H2,1-3H3
  • InChiKey: SXVBUPUMAFPXHK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(4-ethylphenyl)-oxomethyl]-6,7-dimethoxy-1-(phenylmethyl)-4-quinolinone
  • 1-(benzyl)-3-(4-ethylbenzoyl)-6,7-dimethoxy-4-quinolone
  • 3-(4-ethylphenyl)carbonyl-6,7-dimethoxy-1-(phenylmethyl)quinolin-4-one
  • C567-0026
  • NCGC00110052-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi TAR-binding protein 0.0055 0.0349 0.0731
Echinococcus granulosus sodium:glucose cotransporter 0.0067 0.0438 0.069
Loa Loa (eye worm) TAR-binding protein 0.0055 0.0349 0.0729
Echinococcus granulosus malate dehydrogenase 0.0245 0.1809 0.2854
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0061 0.0127
Loa Loa (eye worm) ATP-dependent DNA helicase 0.004 0.0228 0.0477
Echinococcus granulosus solute carrier family 5 0.0067 0.0438 0.069
Echinococcus granulosus neuropeptide s receptor 0.0522 0.3938 0.6215
Plasmodium falciparum L-lactate dehydrogenase 0.063 0.4772 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0355 0.0744
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0245 0.1809 0.2854
Plasmodium vivax malate dehydrogenase, putative 0.063 0.4772 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0303 0.2256 0.4644
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0029 0.0045
Brugia malayi lactate dehydrogenase. 0.063 0.4772 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6336 1
Trichomonas vaginalis DNA helicase recq, putative 0.004 0.0228 0.1249
Echinococcus granulosus expressed protein 0.001 0.0003 0.0003
Giardia lamblia DNA repair protein RAD52 0.0303 0.2256 1
Onchocerca volvulus 0.006 0.0384 0.7944
Loa Loa (eye worm) hypothetical protein 0.0056 0.0355 0.0742
Schistosoma mansoni blooms syndrome DNA helicase 0.002 0.0079 0.0076
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0158 0.0457
Echinococcus granulosus sodium:glucose cotransporter 2 0.0067 0.0438 0.069
Schistosoma mansoni malate dehydrogenase 0.063 0.4772 0.4771
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0384 0.0381
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Loa Loa (eye worm) hypothetical protein 0.0606 0.4586 0.961
Echinococcus multilocularis tumor protein p63 0.0408 0.3064 0.4835
Brugia malayi RNA recognition motif domain containing protein 0.0055 0.0349 0.0731
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus granulosus ferritin 0.001 0.0003 0.0003
Schistosoma mansoni cpg binding protein 0.0034 0.0187 0.0184
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.063 0.4772 1
Echinococcus multilocularis bloom syndrome protein 0.004 0.0228 0.0359
Echinococcus multilocularis L lactate dehydrogenase 0.0385 0.2888 0.4557
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0061 0.0125
Echinococcus multilocularis L lactate dehydrogenase B chain 0.063 0.4772 0.7532
Loa Loa (eye worm) hypothetical protein 0.002 0.0079 0.0164
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0086 0.0588 0.1094
Trichomonas vaginalis malate dehydrogenase, putative 0.0119 0.0842 0.4648
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Loa Loa (eye worm) hypothetical protein 0.063 0.4772 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0238 0.1756 0.1754
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.004 0.0228 0.033
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0349 0.0346
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0079 0.0013
Echinococcus granulosus GPCR family 2 0.0018 0.0061 0.0094
Loa Loa (eye worm) hypothetical protein 0.006 0.0384 0.0802
Leishmania major malate dehydrogenase, putative 0.0245 0.1809 0.3577
Schistosoma mansoni malate dehydrogenase 0.0245 0.1809 0.1806
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0029 0.0045
Plasmodium falciparum malate dehydrogenase 0.063 0.4772 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.004 0.0228 0.0359
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0245 0.1809 1
Leishmania major malate dehydrogenase 0.0245 0.1809 0.3577
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0058
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0061 0.0094
Brugia malayi hypothetical protein 0.003 0.0158 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0349 0.0346
Echinococcus granulosus malate dehydrogenase 0.0245 0.1809 0.2854
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.004 0.0228 0.0152
Trichomonas vaginalis DNA helicase recq, putative 0.004 0.0228 0.1249
Echinococcus multilocularis lactate dehydrogenase a 0.063 0.4772 0.7532
Echinococcus multilocularis high affinity choline transporter 1 0.0606 0.4586 0.7238
Echinococcus granulosus L lactate dehydrogenase 0.0385 0.2888 0.4557
Echinococcus granulosus tar DNA binding protein 0.0055 0.0349 0.0549
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0245 0.1809 1
Leishmania major malate dehydrogenase, putative 0.063 0.4772 1
Schistosoma mansoni cpg binding protein 0.0034 0.0187 0.0184
Loa Loa (eye worm) hypothetical protein 0.0067 0.0438 0.0917
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0061 0.0094
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.004 0.0228 0.0152
Echinococcus granulosus L lactate dehydrogenase B chain 0.063 0.4772 0.7532
Schistosoma mansoni DNA helicase recq5 0.004 0.0228 0.0226
Schistosoma mansoni hypothetical protein 0.0038 0.0219 0.0216
Entamoeba histolytica malate dehydrogenase, putative 0.0245 0.1809 0.3693
Trypanosoma brucei malate dehydrogenase-related 0.0245 0.1809 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0355 0.0742
Echinococcus granulosus dnaJ subfamily B 0.046 0.3461 0.5461
Trichomonas vaginalis malate dehydrogenase, putative 0.0119 0.0842 0.4648
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0349 0.0346
Echinococcus multilocularis lactate dehydrogenase a 0.063 0.4772 0.7532
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.004 0.0228 0.0479
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0058
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0158 0.0181
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Onchocerca volvulus 0.0067 0.0438 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0172 0.0359
Brugia malayi hypothetical protein 0.002 0.0075 0.0158
Schistosoma mansoni hypothetical protein 0.0014 0.0029 0.0026
Brugia malayi CXXC zinc finger family protein 0.0032 0.0172 0.0361
Loa Loa (eye worm) RNA binding protein 0.0055 0.0349 0.0729
Echinococcus granulosus tumor protein p63 0.0408 0.3064 0.4835
Echinococcus multilocularis GPCR, family 2 0.0018 0.0061 0.0094
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Entamoeba histolytica recQ family helicase, putative 0.004 0.0228 0.033
Brugia malayi RNA binding protein 0.0055 0.0349 0.0731
Brugia malayi GH02984p 0.0606 0.4586 0.961
Loa Loa (eye worm) hypothetical protein 0.0038 0.0219 0.0457
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0245 0.1809 1
Schistosoma mansoni hypothetical protein 0.0338 0.2526 0.2523
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0058
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Leishmania major glycosomal malate dehydrogenase 0.0245 0.1809 0.3577
Echinococcus granulosus lactate dehydrogenase protein 0.063 0.4772 0.7532
Echinococcus multilocularis lactate dehydrogenase protein 0.063 0.4772 0.7532
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0245 0.1809 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0245 0.1809 0.379
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.004 0.0228 0.0152
Toxoplasma gondii malate dehydrogenase MDH 0.063 0.4772 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0219 0.0458
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0055 0.0349 0.0729
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus granulosus cpg binding protein 0.0034 0.0187 0.0293
Trichomonas vaginalis DNA helicase recq1, putative 0.004 0.0228 0.1249
Trypanosoma cruzi malate dehydrogenase, putative 0.0245 0.1809 1
Schistosoma mansoni inositol transporter 0.0067 0.0438 0.0436
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0079 0.0013
Schistosoma mansoni L-lactate dehydrogenase 0.0245 0.1809 0.1806
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0067 0.0438 0.069
Echinococcus granulosus geminin 0.0338 0.2526 0.3985
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus granulosus lactate dehydrogenase a 0.063 0.4772 0.7532
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis lactate dehydrogenase a 0.063 0.4772 0.7532
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0067 0.0438 0.069
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6336 0.6335
Giardia lamblia Malate dehydrogenase 0.0245 0.1809 0.7796
Loa Loa (eye worm) malate dehydrogenase 0.0245 0.1809 0.3789
Echinococcus multilocularis solute carrier family 5 0.0067 0.0438 0.069
Loa Loa (eye worm) hypothetical protein 0.003 0.0158 0.033
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0061 0.0094
Schistosoma mansoni malate dehydrogenase 0.0245 0.1809 0.1806
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis dnaJ subfamily B 0.046 0.3461 0.5461
Chlamydia trachomatis malate dehydrogenase 0.0245 0.1809 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0067 0.0438 0.069
Plasmodium vivax lactate dehydrogenase 0.063 0.4772 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis neuropeptide s receptor 0.0522 0.3938 0.6215
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0158 0.0457
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.004 0.0228 0.033
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0073 0.007
Echinococcus multilocularis malate dehydrogenase 0.0245 0.1809 0.2854
Echinococcus granulosus cytosolic malate dehydrogenase 0.0245 0.1809 0.2854
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0245 0.1809 0.3693
Echinococcus granulosus bloom syndrome protein 0.004 0.0228 0.0359
Schistosoma mansoni DNA helicase recq1 0.004 0.0228 0.0226
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0245 0.1809 0.3693
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0395 0.0684
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0067 0.0438 0.069
Schistosoma mansoni sodium/solute symporter 0.0067 0.0438 0.0436
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0355 0.0744
Schistosoma mansoni hypothetical protein 0.0338 0.2526 0.2523
Trypanosoma brucei cytosolic malate dehydrogenase 0.0245 0.1809 1
Echinococcus multilocularis tar DNA binding protein 0.0055 0.0349 0.0549
Toxoplasma gondii lactate dehydrogenase LDH1 0.063 0.4772 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0245 0.1809 1
Leishmania major cytosolic malate dehydrogenase 0.0245 0.1809 0.3577
Entamoeba histolytica recQ family DNA helicase 0.002 0.0079 0.0013
Schistosoma mansoni cpg binding protein 0.0032 0.0172 0.017
Entamoeba histolytica malate dehydrogenase, putative 0.063 0.4772 1
Entamoeba histolytica hypothetical protein 0.0086 0.0588 0.1094
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0067 0.0438 0.0777
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.004 0.0228 0.0359
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0158 0.0181
Toxoplasma gondii lactate dehydrogenase LDH2 0.063 0.4772 1
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0349 0.0346
Trypanosoma cruzi malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6336 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0061 0.0094
Echinococcus multilocularis neuropeptide receptor A26 0.0522 0.3938 0.6215
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0061 0.0127
Schistosoma mansoni hypothetical protein 0.046 0.3461 0.3459
Loa Loa (eye worm) malate dehydrogenase 0.0245 0.1809 0.3789
Schistosoma mansoni malate dehydrogenase 0.0245 0.1809 0.1806
Treponema pallidum ATP-dependent DNA helicase 0.002 0.0079 1
Echinococcus multilocularis cpg binding protein 0.0034 0.0187 0.0293
Brugia malayi Sodium:solute symporter family protein 0.0067 0.0438 0.0919
Loa Loa (eye worm) hypothetical protein 0.0018 0.0061 0.0125
Echinococcus granulosus lactate dehydrogenase a 0.063 0.4772 0.7532
Echinococcus multilocularis ferritin 0.001 0.0003 0.0003
Leishmania major mitochondrial malate dehydrogenase 0.0245 0.1809 0.3577
Echinococcus granulosus high affinity choline transporter 1 0.0606 0.4586 0.7238
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.004 0.0228 0.0479
Brugia malayi Bloom's syndrome protein homolog 0.004 0.0228 0.0479
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0245 0.1809 0.379
Echinococcus granulosus ATP dependent DNA helicase Q5 0.004 0.0228 0.0359
Echinococcus granulosus ATP dependent DNA helicase Q1 0.004 0.0228 0.0359
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.004 0.0228 0.0425
Echinococcus granulosus cytosolic malate dehydrogenase 0.0245 0.1809 0.2854
Schistosoma mansoni high-affinity choline transporter 0.0606 0.4586 0.4585
Loa Loa (eye worm) hypothetical protein 0.002 0.0079 0.0164
Trypanosoma brucei glycosomal malate dehydrogenase 0.0245 0.1809 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0245 0.1809 0.2854
Schistosoma mansoni hypothetical protein 0.0018 0.0061 0.0058
Loa Loa (eye worm) hypothetical protein 0.004 0.0228 0.0477
Schistosoma mansoni inositol transporter 0.0067 0.0438 0.0436
Echinococcus multilocularis geminin 0.0338 0.2526 0.3985
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0245 0.1809 1
Schistosoma mansoni tar DNA-binding protein 0.0055 0.0349 0.0346
Schistosoma mansoni L-lactate dehydrogenase 0.063 0.4772 0.4771
Echinococcus granulosus neuropeptide receptor A26 0.0522 0.3938 0.6215
Plasmodium falciparum lactate dehydrogenase, putative 0.0245 0.1809 0.3577
Mycobacterium ulcerans malate dehydrogenase 0.0245 0.1809 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0245 0.1809 1
Echinococcus multilocularis expressed protein 0.001 0.0003 0.0003
Echinococcus granulosus sodium:myo inositol cotransporter 0.0067 0.0438 0.069
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.004 0.0228 0.0863
Echinococcus multilocularis malate dehydrogenase 0.0245 0.1809 0.2854
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0451 0.0448
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0245 0.1809 1
Loa Loa (eye worm) RecQ helicase 0.004 0.0228 0.0477

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 3.5481 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 39.8107 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 (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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