Detailed information for compound 1415444

Basic information

Technical information
  • TDR Targets ID: 1415444
  • Name: (4-methoxyphenyl) 5-chloro-2-[(2-fluorophenyl )methylsulfanyl]pyrimidine-4-carboxylate
  • MW: 404.842 | Formula: C19H14ClFN2O3S
  • H donors: 0 H acceptors: 3 LogP: 4.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OC(=O)c1nc(ncc1Cl)SCc1ccccc1F
  • InChi: 1S/C19H14ClFN2O3S/c1-25-13-6-8-14(9-7-13)26-18(24)17-15(20)10-22-19(23-17)27-11-12-4-2-3-5-16(12)21/h2-10H,11H2,1H3
  • InChiKey: NVOSPZNQVSARGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid (4-methoxyphenyl) ester
  • 5-chloro-2-[(2-fluorobenzyl)thio]pyrimidine-4-carboxylic acid (4-methoxyphenyl) ester
  • D233-0232
  • NCGC00117431-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.038 1
Onchocerca volvulus 0.0028 0.0255 0.5645
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0351 0.1308
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0044 0.0452 0.0896
Brugia malayi beta-lactamase family protein 0.0036 0.0351 0.0696
Schistosoma mansoni smad 0.0008 0.002 0.002
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0351 0.9242
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.002 0.002
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.038 0.2699
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1409 0.2796
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.038 0.1342
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0255 0.0506
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0494
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0423 0.504 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0025 0.009
Schistosoma mansoni lipoxygenase 0.002 0.0165 0.0164
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0148
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0044 0.0452 0.0896
Brugia malayi intermediate filament protein 0.0028 0.0255 0.0506
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.038 0.8401
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0008 0.0007
Schistosoma mansoni smad1 5 8 and 0.0008 0.002 0.002
Echinococcus multilocularis musashi 0.0028 0.0255 0.0255
Onchocerca volvulus 0.003 0.0277 0.6129
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.0007 0.0001 0.0016
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.024 0.2827 0.2827
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0351 0.0351
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.038 0.2699
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1406 1
Echinococcus granulosus ferritin 0.0009 0.0025 0.0024
Brugia malayi MH2 domain containing protein 0.0008 0.002 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0351 0.0351
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.002 0.002
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.002 0.0039
Brugia malayi hypothetical protein 0.002 0.0165 0.0326
Echinococcus multilocularis smad 0.0008 0.002 0.002
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0351 0.2494
Onchocerca volvulus 0.0044 0.0452 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0423 0.504 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0165 0.0164
Trichomonas vaginalis ferritin, putative 0.0009 0.0025 0.0648
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.024 0.2827 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.002 0.002
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0351 0.1308
Leishmania major carnitine/choline acetyltransferase, putative 0.0044 0.0452 0.1598
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0044 0.0452 0.0452
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0.0025 0.0685
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0351 0.0696
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.002 0.0039
Brugia malayi Choline O-acetyltransferase 0.0044 0.0452 0.0896
Schistosoma mansoni cpg binding protein 0.0031 0.0298 0.0297
Schistosoma mansoni choline o-acyltransferase 0.0044 0.0452 0.0452
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0165 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0452 0.1598
Onchocerca volvulus 0.0044 0.0452 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1406 1
Onchocerca volvulus 0.0044 0.0452 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0351 0.1308
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.1406 0.1406
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0099 0.0196
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0165 0.0164
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0008 0.0007
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0165 0.0164
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.038 1
Echinococcus multilocularis Smad4 0.0008 0.002 0.002
Schistosoma mansoni cpg binding protein 0.0031 0.0298 0.0297
Brugia malayi beta-lactamase family protein 0.0036 0.0351 0.0696
Mycobacterium tuberculosis Conserved protein 0.0036 0.0351 0.1308
Schistosoma mansoni rab6-interacting 0.002 0.0165 0.0164
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.038 0.0379
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0123 0.1406 0.4973
Mycobacterium ulcerans hypothetical protein 0.0036 0.0351 0.2494
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0351 0.1308
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.038 0.1342
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0165 0.0164
Schistosoma mansoni apoferritin-2 0.0009 0.0025 0.0024
Mycobacterium tuberculosis Conserved protein 0.0036 0.0351 0.1308
Loa Loa (eye worm) Smad1 0.0008 0.002 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0351 0.124
Echinococcus granulosus cpg binding protein 0.0031 0.0298 0.0297
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0351 0.2494
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0351 0.1308
Onchocerca volvulus 0.002 0.0165 0.364
Schistosoma mansoni Smad4 0.0008 0.002 0.002
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0099 0.0196
Mycobacterium tuberculosis Conserved protein 0.0036 0.0351 0.1308
Onchocerca volvulus 0.002 0.0165 0.364
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0044 0.0452 1
Schistosoma mansoni cpg binding protein 0.003 0.0277 0.0277
Loa Loa (eye worm) beta-lactamase 0.0036 0.0351 0.0696
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0008 0.0007
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0044 0.0452 0.1598
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0351 0.124
Mycobacterium leprae Probable lipase LipE 0.0036 0.0351 1
Schistosoma mansoni hypothetical protein 0.002 0.0165 0.0164
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0044 0.0452 0.1598
Schistosoma mansoni intermediate filament proteins 0.0028 0.0255 0.0255
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0025 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0351 0.9242
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0608 0.0608
Schistosoma mansoni ferritin 0.0009 0.0025 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0452 0.1598
Onchocerca volvulus 0.0036 0.0351 0.7763
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0044 0.0452 1
Schistosoma mansoni apoferritin-2 0.0009 0.0025 0.0024
Schistosoma mansoni lamin 0.0028 0.0255 0.0255
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0608 0.0608
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0351 0.9242
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.024 0.2827 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0255 0.0506
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0044 0.0452 0.0896
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0351 1
Onchocerca volvulus 0.0028 0.0255 0.5645
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.038 0.0379
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Loa Loa (eye worm) choline O-acetyltransferase 0.0044 0.0452 0.0896
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0255 0.0506
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0351 0.9242
Brugia malayi Doublecortin family protein 0.002 0.0165 0.0326
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.038 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0165 0.0326
Loa Loa (eye worm) inositol-1 0.0038 0.038 0.0753
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.038 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0351 0.2494
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.003 0.0029
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0351 0.1308
Schistosoma mansoni polycystin 1-related 0.002 0.0165 0.0164
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis expressed protein 0.0009 0.0025 0.0024
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.038 1
Echinococcus granulosus dnaJ subfamily B 0.0422 0.5026 0.5026
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0679 0.0679
Echinococcus granulosus Smad4 0.0008 0.002 0.002
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0351 0.7763
Brugia malayi hypothetical protein 0.002 0.0165 0.0326
Echinococcus granulosus lamin 0.0028 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.002 0.0165 0.0326
Brugia malayi MH2 domain containing protein 0.0008 0.002 0.0039
Toxoplasma gondii ABC1 family protein 0.0036 0.0351 0.2494
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0452 0.1598
Loa Loa (eye worm) hypothetical protein 0.0044 0.0452 0.0896
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0598 0.4251
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0351 0.0696
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.002 0.002
Leishmania major hypothetical protein, conserved 0.0036 0.0351 0.124
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0044 0.0452 0.1598
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.002 0.002
Echinococcus multilocularis RUN 0.002 0.0165 0.0164
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0351 0.0351
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0165 0.5
Schistosoma mansoni smad1 5 8 and 0.0008 0.002 0.002
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0028 0.0055
Schistosoma mansoni ferritin light chain 0.0009 0.0025 0.0024
Schistosoma mansoni ferritin light chain 0.0009 0.0025 0.0024
Brugia malayi MH1 domain containing protein 0.0008 0.002 0.0039
Echinococcus granulosus smad 0.0008 0.002 0.002
Brugia malayi MH2 domain containing protein 0.0123 0.1409 0.2796
Echinococcus multilocularis ferritin 0.0009 0.0025 0.0024
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0332 0.9443
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0025 0.0171
Onchocerca volvulus 0.0044 0.0452 1
Brugia malayi Inositol-1 0.0038 0.038 0.0753
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0081 0.0081
Echinococcus granulosus RUN 0.002 0.0165 0.0164
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0123 0.1406 0.1406
Onchocerca volvulus 0.0036 0.0351 0.7763
Brugia malayi Choline O-acetyltransferase 0.0044 0.0452 0.0896
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2681 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0351 0.2494
Echinococcus multilocularis lamin 0.0028 0.0255 0.0255
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0165 0.0164
Brugia malayi CXXC zinc finger family protein 0.003 0.0277 0.0549
Toxoplasma gondii aldehyde dehydrogenase 0.0123 0.1406 1
Schistosoma mansoni ferritin 0.0009 0.0025 0.0024
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0351 1
Echinococcus granulosus expressed protein 0.0009 0.0025 0.0024
Schistosoma mansoni inositol monophosphatase 0.0038 0.038 0.0379
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.038 0.1342
Onchocerca volvulus 0.0036 0.0351 0.7763
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.003 0.0029
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0081 0.0081
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0044 0.0452 0.1598
Schistosoma mansoni ferritin 0.0009 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Echinococcus multilocularis lamin dm0 0.0028 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Schistosoma mansoni hypothetical protein 0.0422 0.5026 0.5026
Loa Loa (eye worm) hypothetical protein 0.0013 0.0081 0.016
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0044 0.0452 0.0896
Echinococcus multilocularis choline O acetyltransferase 0.0044 0.0452 0.0452
Schistosoma mansoni loxhd1 0.002 0.0165 0.0164
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0277 0.0549
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0044 0.0452 0.0452
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0044 0.0452 0.1598
Trichomonas vaginalis esterase, putative 0.0036 0.0351 0.9242
Giardia lamblia Alcohol dehydrogenase 0.0007 0.0001 0.5
Schistosoma mansoni choline o-acyltransferase 0.0044 0.0452 0.0452
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0123 0.1406 0.5243
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.002 0.002
Mycobacterium ulcerans aldehyde dehydrogenase 0.0123 0.1406 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0255 0.0506
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0351 0.9242
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0025 0.009
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1409 0.2796
Brugia malayi Smad1 0.0008 0.002 0.0039
Schistosoma mansoni aldehyde dehydrogenase 0.0123 0.1406 0.1406
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0123 0.1406 0.1406
Echinococcus multilocularis cpg binding protein 0.0031 0.0298 0.0297
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0044 0.0452 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0165 0.0326
Loa Loa (eye worm) hypothetical protein 0.0036 0.0351 0.0696
Brugia malayi MH1 domain containing protein 0.0008 0.002 0.0039
Trypanosoma brucei hypothetical protein, conserved 0.0044 0.0452 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0025 0.0633
Echinococcus multilocularis dnaJ subfamily B 0.0422 0.5026 0.5026
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0025 0.0171
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.024 0.2827 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.038 0.0379
Schistosoma mansoni lipoxygenase 0.0057 0.0608 0.0608
Echinococcus granulosus lamin dm0 0.0028 0.0255 0.0255
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0351 0.1308
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0332 0.1235
Leishmania major carnitine palmitoyltransferase-like protein 0.0044 0.0452 0.1598
Echinococcus granulosus intermediate filament protein 0.0028 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0013 0.0075 0.0148
Schistosoma mansoni rab6-interacting 0.002 0.0165 0.0164
Schistosoma mansoni lamin 0.0028 0.0255 0.0255
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0044 0.0452 1
Schistosoma mansoni ferritin 0.0009 0.0025 0.0024
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0351 0.0351
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0044 0.0452 0.1598
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.024 0.2827 0.2827
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0008 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0452 0.1598
Brugia malayi beta-lactamase 0.0036 0.0351 0.0696
Loa Loa (eye worm) histone methyltransferase 0.0009 0.003 0.0058
Echinococcus granulosus choline O acetyltransferase 0.0044 0.0452 0.0452
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0452 0.1598

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 8.9125 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) = 25.1189 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) 31.6228 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) 44.6684 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

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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