Detailed information for compound 1315488

Basic information

Technical information
  • TDR Targets ID: 1315488
  • Name: 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin -4-yl)sulfanylethanone
  • MW: 336.451 | Formula: C20H20N2OS
  • H donors: 0 H acceptors: 3 LogP: 5.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)CSc1nc(nc2c1cccc2)C(C)C
  • InChi: 1S/C20H20N2OS/c1-13(2)19-21-17-7-5-4-6-16(17)20(22-19)24-12-18(23)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3
  • InChiKey: UQCYPEAKVNFESC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-isopropylquinazolin-4-yl)sulfanyl-1-(4-methylphenyl)ethanone
  • 2-[(2-isopropyl-4-quinazolinyl)thio]-1-(4-methylphenyl)ethanone
  • 2-[(2-isopropylquinazolin-4-yl)thio]-1-(4-methylphenyl)ethanone
  • 1-(4-methylphenyl)-2-(2-propan-2-ylquinazolin-4-yl)sulfanyl-ethanone
  • ASN 06533261
  • MLS000855955
  • SMR000286400
  • ZINC01343008
  • 2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-1-p-tolyl-ethanone

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 lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma mansoni mixed-lineage leukemia protein mll 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0558 0.0558
Loa Loa (eye worm) trypsin family protein 0.0008 0.0071 0.0071
Echinococcus multilocularis cpg binding protein 0.0037 0.3142 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0101
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0558 0.1777
Onchocerca volvulus 0.0008 0.0078 0.01
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0101
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0558 0.1777
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Echinococcus granulosus Mastin 0.0008 0.0071 0.0227
Onchocerca volvulus 0.0008 0.0071 0.0087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0558 0.0558
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0558 0.0793
Echinococcus multilocularis fibrillin 1 0.0007 0.0027 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0558 0.1777
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0558 0.0558
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0558 0.1052
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0055 0.5074 0.7206
Toxoplasma gondii microneme protein MIC17A 0.0008 0.0078 0.0081
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0007 0.0027 0.0027
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Brugia malayi Trypsin-like protease protein 5 0.0008 0.0071 0.0071
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0055 0.5074 0.7206
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0558 0.0558
Toxoplasma gondii hypothetical protein 0.0008 0.0078 0.0081
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0558 0.0793
Toxoplasma gondii kringle domain-containing protein 0.0021 0.152 0.2414
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0558 0.0558
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0558 0.1777
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Onchocerca volvulus 0.0008 0.0078 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0558 0.0558
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0008 0.0071 0.0101
Schistosoma mansoni cpg binding protein 0.0035 0.2933 0.4166
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0227
Echinococcus multilocularis transmembrane protease serine 3 0.0008 0.0071 0.0227
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0558 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0558 0.0558
Echinococcus granulosus transmembrane protease serine 3 0.0008 0.0071 0.0227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0558 0.0558
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0403 0.0403
Loa Loa (eye worm) hypothetical protein 0.0008 0.0071 0.0071
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.152 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Toxoplasma gondii 1,3(4)-beta-glucanase 0.0008 0.0078 0.0081
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0558 0.1052
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0558 0.0558
Toxoplasma gondii microneme protein, putative 0.0008 0.0078 0.0081
Brugia malayi Protein kinase domain containing protein 0.0021 0.152 0.152
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0558 0.0558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0558 0.0558
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0008 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0558 0.1777
Loa Loa (eye worm) PAN domain-containing protein 0.0008 0.0078 0.0078
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0558 0.0793
Loa Loa (eye worm) hypothetical protein 0.0008 0.0071 0.0071
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0558 0.0793
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0179 0.057
Echinococcus multilocularis glycoprotein Antigen 5 0.0008 0.0071 0.0227
Echinococcus multilocularis laminin 0.0007 0.0027 0.0087
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0558 0.0793
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0101
Onchocerca volvulus 0.0008 0.0071 0.0087
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0558 0.0793
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Echinococcus granulosus glycoprotein Antigen 5 0.0008 0.0071 0.0227
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0101
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0558 0.1777
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Brugia malayi Trypsin family protein 0.0055 0.5074 0.5074
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Onchocerca volvulus 0.0008 0.0078 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0007 0.0027 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0558 0.0558
Toxoplasma gondii microneme protein MIC17C 0.0008 0.0078 0.0081
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0558 0.0558
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0008 0.0071 0.0101
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0008 0.0078 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.152 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.152 0.152
Schistosoma mansoni egf-like domain protein 0.0007 0.0027 0.0039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0558 0.0558
Onchocerca volvulus 0.0008 0.0078 0.01
Onchocerca volvulus 0.0055 0.5074 1
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0558 0.0793
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0558 0.0558
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.152 0.4838
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0558 0.1777
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0388 0.0388
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0007 0.0027 0.0027
Brugia malayi Kringle domain containing protein 0.0021 0.152 0.152
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0403 0.1281
Brugia malayi Trypsin family protein 0.0008 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0558 0.0558
Brugia malayi steroid hormone receptor 0.0012 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Brugia malayi hypothetical protein 0.0008 0.0071 0.0071
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Brugia malayi CXXC zinc finger family protein 0.0035 0.2933 0.2933
Loa Loa (eye worm) hypothetical protein 0.0008 0.0071 0.0071
Brugia malayi ecdysteroid receptor 0.0012 0.0558 0.0558
Onchocerca volvulus 0.0008 0.0071 0.0087
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0558 0.1777
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Onchocerca volvulus 0.0008 0.0078 0.01
Toxoplasma gondii subtilisin SUB12 0.0008 0.0078 0.0081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0558 0.1777
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0558 0.1777
Echinococcus granulosus enteropeptidase 0.0008 0.0071 0.0227
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0008 0.0071 0.0101
Schistosoma mansoni cpg binding protein 0.0037 0.3142 0.4462
Onchocerca volvulus 0.0035 0.2933 0.5758
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Toxoplasma gondii PAN domain-containing protein 0.0008 0.0078 0.0081
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Echinococcus multilocularis enteropeptidase 0.0008 0.0071 0.0227
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0558 0.0793
Onchocerca volvulus 0.0012 0.0558 0.1052
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.152 0.152
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Brugia malayi Trypsin family protein 0.0008 0.0071 0.0071
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0007 0.0027 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0179 0.057
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0558 0.0558
Onchocerca volvulus 0.0008 0.0078 0.01
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0558 0.0558
Brugia malayi Trypsin family protein 0.0008 0.0071 0.0071
Toxoplasma gondii microneme protein MIC17B 0.0008 0.0078 0.0081
Echinococcus multilocularis Mastin 0.0008 0.0071 0.0227
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0558 0.0558
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0558 0.1777
Echinococcus granulosus Tolloid protein 1 0.0007 0.0027 0.0087
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0558 0.0793
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0558 0.1777
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0558 0.0558
Toxoplasma gondii microneme protein MIC4 0.0008 0.0078 0.0081
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0007 0.0027 0.0039
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.5074 0.5074
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Brugia malayi Fibulin-1 precursor 0.0007 0.0027 0.0027
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0027
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Schistosoma mansoni cpg binding protein 0.0037 0.3142 0.4462
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0558 0.0558
Brugia malayi nuclear receptor NHR-88 0.0012 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0027
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0558 0.1777
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0008 0.0071 0.0227
Onchocerca volvulus 0.0008 0.0078 0.01
Onchocerca volvulus 0.0008 0.0071 0.0087
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0558 0.0793
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0558 0.1052
Onchocerca volvulus 0.0047 0.4272 0.841
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2933 0.2933
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0008 0.0071 0.0227
Loa Loa (eye worm) PAN domain-containing protein 0.0008 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0008 0.0071 0.0101
Schistosoma mansoni coup transcription factor 0.0012 0.0558 0.0793
Brugia malayi nuclear hormone receptor 0.0012 0.0558 0.0558
Onchocerca volvulus 0.0008 0.0078 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0558 0.1777
Loa Loa (eye worm) hypothetical protein 0.0008 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0027
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0179 0.057
Onchocerca volvulus 0.0021 0.152 0.2958
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0558 0.1777
Loa Loa (eye worm) hypothetical protein 0.0008 0.0071 0.0071
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0007 0.0027 0.0027
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.7042 1
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Onchocerca volvulus 0.0008 0.0078 0.01
Echinococcus multilocularis Tolloid protein 1 0.0007 0.0027 0.0087
Loa Loa (eye worm) hypothetical protein 0.0008 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0055 0.5074 0.5074
Onchocerca volvulus 0.0008 0.0078 0.01
Loa Loa (eye worm) hypothetical protein 0.0012 0.0558 0.0558
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0558 0.1777
Trichomonas vaginalis helicase, putative 0.0008 0.0099 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0558 0.0793
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.6211 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0179 0.0254
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0558 0.0558
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0558 0.0558
Onchocerca volvulus 0.0008 0.0078 0.01
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.152 0.4838
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Schistosoma mansoni hypothetical protein 0.0021 0.152 0.2159
Mycobacterium ulcerans hypothetical protein 0.0008 0.0071 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0008 0.0078 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Loa Loa (eye worm) PAN domain-containing protein 0.0008 0.0078 0.0078
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0403 0.1281
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0558 0.1777
Brugia malayi PAN domain containing protein 0.0008 0.0078 0.0078
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Echinococcus granulosus laminin 0.0007 0.0027 0.0087
Loa Loa (eye worm) hypothetical protein 0.0007 0.0027 0.0027
Onchocerca volvulus 0.0008 0.0071 0.0087
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0558 0.0558
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0099 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0099 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0008 0.0071 0.0227
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0558 0.1777
Toxoplasma gondii PAN/Apple domain-containing protein 0.0008 0.0078 0.0081
Schistosoma mansoni cercarial elastase (S01 family) 0.0008 0.0071 0.0101
Toxoplasma gondii hypothetical protein 0.0008 0.0078 0.0081
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0179 0.057
Echinococcus granulosus cpg binding protein 0.0037 0.3142 1
Leishmania major hypothetical protein, conserved 0.0021 0.152 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.152 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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 (functional) = 28.1838 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) = 31.6228 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Saccharomyces cerevisiae 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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