Detailed information for compound 1446819

Basic information

Technical information
  • TDR Targets ID: 1446819
  • Name: 5-(1-phenylethylsulfanyl)-4-phenylsulfonyl-2- thiophen-2-yl-1,3-oxazole
  • MW: 427.56 | Formula: C21H17NO3S3
  • H donors: 0 H acceptors: 3 LogP: 5.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccccc1)Sc1oc(nc1S(=O)(=O)c1ccccc1)c1cccs1
  • InChi: 1S/C21H17NO3S3/c1-15(16-9-4-2-5-10-16)27-21-20(22-19(25-21)18-13-8-14-26-18)28(23,24)17-11-6-3-7-12-17/h2-15H,1H3
  • InChiKey: VBYFYQRIHFTGDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(1-phenylethylsulfanyl)-4-phenylsulfonyl-2-(2-thienyl)oxazole
  • 5-(1-phenylethylthio)-4-phenylsulfonyl-2-(2-thienyl)oxazole
  • C176-0250
  • NCGC00104568-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0019 0.004 0.0126
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0173 0.0416
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0201 0.0483
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0149 0.0465
Plasmodium vivax SET domain protein, putative 0.0036 0.0107 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0133 0.0483 1
Echinococcus multilocularis smad 0.0009 0.0003 0.0003
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0205 0.3759
Echinococcus multilocularis Smad4 0.0009 0.0003 0.0003
Schistosoma mansoni smad1 5 8 and 0.0009 0.0003 0.0009
Brugia malayi hypothetical protein 0.012 0.0432 0.1041
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0205 0.0205
Echinococcus multilocularis fatty acid binding protein FABP2 0.0103 0.0368 0.0368
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0149 0.0149
Onchocerca volvulus 0.0036 0.0107 0.0646
Loa Loa (eye worm) hypothetical protein 0.006 0.0201 0.0483
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0052 0.0162
Brugia malayi MH2 domain containing protein 0.0138 0.0505 0.1216
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0098 0.1364
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0038 0.0091
Echinococcus multilocularis fatty acid binding protein FABP2 0.0103 0.0368 0.0368
Echinococcus multilocularis neuropeptide receptor A26 0.046 0.1758 0.1758
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0149 0.0465
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0003 0.0007
Echinococcus granulosus smad 0.0009 0.0003 0.0009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0152 0.0367
Trichomonas vaginalis set domain proteins, putative 0.0286 0.108 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0038 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0003 0.0007
Schistosoma mansoni hypothetical protein 0.0168 0.0621 0.1932
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0149 0.0359
Echinococcus granulosus Smad4 0.0009 0.0003 0.0009
Echinococcus granulosus tumor protein p63 0.0408 0.1555 0.4843
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0107 0.2207
Loa Loa (eye worm) hypothetical protein 0.004 0.0121 0.0292
Onchocerca volvulus Huntingtin homolog 0.012 0.0432 0.2618
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0061 0.0205 0.3759
Schistosoma mansoni ap endonuclease 0.0018 0.0038 0.0117
Echinococcus granulosus fatty acid binding protein FABP2 0.0103 0.0368 0.1146
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0098 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0107 0.0332
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0149 0.0465
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0031 0.0097
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0205 0.3759
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0114 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0107 0.0332
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0205 0.0639
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.0483 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0038 0.0038
Schistosoma mansoni zinc finger protein 0.0019 0.0041 0.0127
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0171 0.0534
Schistosoma mansoni fatty acid binding protein 0.0103 0.0368 0.1146
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0052 0.0162
Brugia malayi MH1 domain containing protein 0.0009 0.0003 0.0007
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0038 0.0291
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0038 0.0117
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0205 0.0494
Schistosoma mansoni ap endonuclease 0.0018 0.0038 0.0117
Schistosoma mansoni hypothetical protein 0.0015 0.0024 0.0076
Brugia malayi MH2 domain containing protein 0.0009 0.0003 0.0007
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0103 0.032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0126 0.0305
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0217 0.0523
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0171 0.0534
Onchocerca volvulus 0.0432 0.1651 1
Schistosoma mansoni lozenge 0.0054 0.0177 0.0553
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0199 0.0619
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0003 0.0009
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0038 0.0692
Schistosoma mansoni hypothetical protein 0.0048 0.0152 0.0475
Schistosoma mansoni inositol monophosphatase 0.0038 0.0114 0.0355
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.0653 0.3954
Echinococcus multilocularis tumor protein p63 0.0408 0.1555 0.1555
Schistosoma mansoni survival motor neuron protein 0.0048 0.0152 0.0475
Schistosoma mansoni smad1 5 8 and 0.0009 0.0003 0.0009
Schistosoma mansoni hypothetical protein 0.0041 0.0126 0.0394
Echinococcus granulosus geminin 0.0168 0.0621 0.1932
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0171 0.0171
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.0483 0.1504
Echinococcus granulosus GPCR family 2 0.0019 0.004 0.0126
Toxoplasma gondii exonuclease III APE 0.0018 0.0038 0.0781
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0114 0.4646
Loa Loa (eye worm) hypothetical protein 0.0432 0.1651 0.3976
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0033 0.008
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0201 0.0483
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0126 0.0305
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0201 0.0483
Brugia malayi N-terminal motif family protein 0.0176 0.0653 0.1572
Echinococcus granulosus zinc finger protein 0.0019 0.0041 0.0127
Brugia malayi PHD-finger family protein 0.0024 0.0061 0.0147
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0193 0.0193
Schistosoma mansoni fatty acid binding protein 0.0103 0.0368 0.1146
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0003 0.0003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0133 0.0483 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0128 0.0309
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0101 0.0316
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0114 0.0731
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0045 0.0108
Echinococcus multilocularis zinc finger protein 0.0019 0.0041 0.0041
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0114 0.0114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0037 0.0112 0.027
Loa Loa (eye worm) hypothetical protein 0.0432 0.1651 0.3976
Brugia malayi MH2 domain containing protein 0.0009 0.0003 0.0007
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0031 0.0097
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0114 0.4248
Brugia malayi Pre-SET motif family protein 0.0251 0.0945 0.2276
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.004 0.0126
Brugia malayi hypothetical protein 0.0432 0.1651 0.3976
Loa Loa (eye worm) hypothetical protein 0.0176 0.0653 0.1572
Schistosoma mansoni smad1 5 8 and 0.0009 0.0003 0.0009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0107 0.0107
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.012 0.0432 0.1041
Onchocerca volvulus 0.006 0.0199 0.1205
Loa Loa (eye worm) hypothetical protein 0.0234 0.0879 0.2118
Loa Loa (eye worm) hypothetical protein 0.0053 0.0171 0.0413
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.004 0.004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0038 0.0692
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0114 0.4646
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0038 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0114 0.0731
Schistosoma mansoni Smad4 0.0009 0.0003 0.0009
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0003 0.0009
Schistosoma mansoni smad 0.0009 0.0003 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0171 0.0534
Brugia malayi follicle stimulating hormone receptor 0.0232 0.087 0.2095
Schistosoma mansoni zinc finger protein 0.0015 0.0024 0.0076
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.004 0.0126
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.004 0.0097
Echinococcus granulosus fatty acid binding protein FABP2 0.0103 0.0368 0.1146
Onchocerca volvulus 0.0286 0.108 0.6545
Schistosoma mansoni hypothetical protein 0.0019 0.004 0.0126
Echinococcus granulosus neuropeptide receptor A26 0.046 0.1758 0.5473
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0149 0.0465
Loa Loa (eye worm) inositol-1 0.0038 0.0114 0.0275
Brugia malayi Bromodomain containing protein 0.0037 0.0112 0.0269
Brugia malayi Inositol-1 0.0038 0.0114 0.0275
Loa Loa (eye worm) hypothetical protein 0.0019 0.004 0.0097
Brugia malayi Smad1 0.0009 0.0003 0.0007
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3212 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0217 0.4204
Loa Loa (eye worm) Smad1 0.0009 0.0003 0.0007
Schistosoma mansoni hypothetical protein 0.0019 0.004 0.0126
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.1075 0.4152 1
Echinococcus granulosus neuropeptide s receptor 0.046 0.1758 0.5473
Schistosoma mansoni aldehyde dehydrogenase 0.0133 0.0483 0.1504
Echinococcus multilocularis Protein lozenge 0.0054 0.0177 0.0177
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.0505 0.1216
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.087 0.2095
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3212 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0193 0.0602
Schistosoma mansoni hypothetical protein 0.0168 0.0621 0.1932
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0038 0.0091
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0217 0.0676
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.004 0.004
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0217 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0149 0.0359
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0031 0.0097
Loa Loa (eye worm) runx1 0.0054 0.0177 0.0428
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.0483 1
Toxoplasma gondii aldehyde dehydrogenase 0.0133 0.0483 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3212 0.3212
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0031 0.0031
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0003 0.0009
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0205 0.3941
Onchocerca volvulus 0.0048 0.0152 0.0924
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0133 0.0483 0.1504
Loa Loa (eye worm) hypothetical protein 0.006 0.0199 0.0479
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0038 0.0692
Echinococcus multilocularis geminin 0.0168 0.0621 0.0621
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0114 0.1712
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0114 0.0731
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.0505 0.1216
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0114 0.0355
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0149 0.0465
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0114 0.4646
Brugia malayi MH1 domain containing protein 0.0009 0.0003 0.0007
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.004 0.0097
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0114 0.2359
Schistosoma mansoni bromodomain containing protein 0.0062 0.0207 0.0644
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0205 0.0639
Brugia malayi Bromodomain containing protein 0.0073 0.0251 0.0606
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0003 0.0003
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0217 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0217 0.0523
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0217 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0114 0.0355
Brugia malayi Pre-SET motif family protein 0.0036 0.0107 0.0257
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0038 0.5
Echinococcus multilocularis GPCR, family 2 0.0019 0.004 0.004
Echinococcus multilocularis neuropeptide s receptor 0.046 0.1758 0.1758
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0114 0.1953
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0112 0.0347
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0103 0.0103
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0133 0.0483 0.0483
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.0879 0.2738
Brugia malayi hypothetical protein 0.0234 0.0879 0.2118
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0217 0.0217
Mycobacterium ulcerans aldehyde dehydrogenase 0.0133 0.0483 1
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.1075 0.4152 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.004 0.0097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0235 0.0566
Schistosoma mansoni hypothetical protein 0.002 0.0045 0.0139
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0945 0.2276
Loa Loa (eye worm) hypothetical protein 0.012 0.0432 0.1041
Schistosoma mansoni hypothetical protein 0.0019 0.004 0.0126
Onchocerca volvulus Huntingtin homolog 0.012 0.0432 0.2618
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.0879 0.0879
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0217 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0217 0.0676

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5012 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) 2.8184 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) = 11.2202 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) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 14.1254 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 Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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