Detailed information for compound 1362513

Basic information

Technical information
  • TDR Targets ID: 1362513
  • Name: 4-(phenylmethoxy)-1H-pyridin-2-one
  • MW: 201.221 | Formula: C12H11NO2
  • H donors: 1 H acceptors: 2 LogP: 2.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nccc(c1)OCc1ccccc1
  • InChi: 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
  • InChiKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(benzyloxy)-2-pyridone
  • ST5319514
  • 4-Benzyloxy-2(1H)-pyridone
  • 410616_ALDRICH
  • ST5407464
  • ZINC00155105

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens Wolf-Hirschhorn syndrome candidate 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens Ras and Rab interactor 1 No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum protein with 4 PHD domains plus a SET domain and associated cysteine cluster at the C-terminus Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Histone-lysine N-methyltransferase NSD3, putative Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Echinococcus granulosus histone lysine N methyltransferase NSD3 Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum expressed protein Get druggable targets OG5_130029 All targets in OG5_130029
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni SET domain protein Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma japonicum ko:K05302 histone-lysine N-methyltransferase [EC2.1.1.43], putative Get druggable targets OG5_130029 All targets in OG5_130029
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Kinase, STE STE20 0.0285 0.2265 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Brugia malayi Protein kinase domain containing protein 0.0198 0.1539 0.1539
Loa Loa (eye worm) hypothetical protein 0.0039 0.0207 0.0207
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0247 0.0245
Brugia malayi jmjC domain containing protein 0.0115 0.0849 0.0849
Loa Loa (eye worm) TKL/LRRK protein kinase 0.0907 0.7467 0.7467
Loa Loa (eye worm) hypothetical protein 0.0052 0.0315 0.0315
Schistosoma mansoni hypothetical protein 0.0018 0.0039 0.0047
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0112 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0279 0.0333
Trichomonas vaginalis STE family protein kinase 0.0285 0.2265 0.6078
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0248 0.0248
Onchocerca volvulus 0.0037 0.0194 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0207 0.0753
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0433 0.056
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0112 0.0109
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0279 0.0474
Trichomonas vaginalis set domain proteins, putative 0.0287 0.2287 0.6143
Loa Loa (eye worm) hypothetical protein 0.0037 0.0194 0.0194
Brugia malayi Bromodomain containing protein 0.0046 0.0271 0.0271
Echinococcus granulosus serine:threonine protein kinase Chk2 0.005 0.0303 0.03
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0063 0.0063
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.2666 0.2664
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0487 0.0485
Mycobacterium ulcerans beta-lactamase 0.0043 0.0248 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0248 0.0244
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0175 0.0172
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0487 0.0485
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0248 0.0319
Schistosoma mansoni phd finger protein 0.0014 0.0004 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0248 0.0244
Brugia malayi jmjC domain containing protein 0.0045 0.026 0.026
Loa Loa (eye worm) hypothetical protein 0.0049 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Trypanosoma brucei STE20-like serine/threonine-protein kinase 1, putative 0.0285 0.2265 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0253 0.1997 0.1997
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.026 0.0257
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0057 0.007
Schistosoma mansoni ste20-related kinase 0.0932 0.7677 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0019 0.0021
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0588 0.0588
Brugia malayi SET domain containing protein 0.0016 0.0022 0.0022
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.0907 0.7467 0.7466
Brugia malayi mbt repeat family protein 0.0058 0.0366 0.0366
Leishmania major hypothetical protein, conserved 0.0043 0.0248 0.0939
Onchocerca volvulus 0.0043 0.0248 0.0328
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0248 0.0939
Brugia malayi beta-lactamase 0.0043 0.0248 0.0248
Schistosoma mansoni serine/threonine protein kinase 0.0447 0.3621 0.4714
Brugia malayi Pre-SET motif family protein 0.0037 0.0197 0.0197
Trichomonas vaginalis GTP binding protein rare7l, putative 0.0039 0.0207 0.0124
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0588 0.1227
Echinococcus multilocularis serine:threonine protein kinase 3 0.121 1 1
Schistosoma mansoni zinc finger protein 0.0018 0.0039 0.0047
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0041 0.0226 0.0224
Schistosoma mansoni SET domain protein 0.0041 0.0226 0.0291
Echinococcus granulosus zinc finger protein 0.0024 0.0082 0.0079
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0198 0.1539 0.1539
Mycobacterium ulcerans hypothetical protein 0.0043 0.0248 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0279 0.0333
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.2666 0.2664
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0309 0.042
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0248 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0849 0.0846
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0057 0.0054
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0247 0.0245
Brugia malayi CHD4 protein 0.0016 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0207 0.0124
Loa Loa (eye worm) hypothetical protein 0.006 0.0389 0.0389
Brugia malayi beta-lactamase family protein 0.0043 0.0248 0.0248
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0179 0.0229
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0057 0.0054
Leishmania major hypothetical protein, conserved 0.0039 0.0207 0.0753
Plasmodium vivax ras-related protein Rab-5A, putative 0.0039 0.0207 0.008
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0207 0.0753
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0369 0.0477
Echinococcus granulosus chromobox protein 1 0.0084 0.0588 0.0585
Entamoeba histolytica protein kinase, putative 0.005 0.0303 0.0282
Mycobacterium ulcerans lipase LipD 0.0043 0.0248 0.5
Schistosoma mansoni chromobox protein 0.0084 0.0588 0.0762
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0366 0.0473
Entamoeba histolytica protein kinase, putative 0.0447 0.3621 1
Plasmodium vivax serine/threonine-specific protein kinase, putative 0.0447 0.3621 1
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0303 0.0391
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0207 0.0753
Loa Loa (eye worm) hypothetical protein 0.0085 0.0599 0.0599
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0179 0.0179
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0241 0.0238
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0285 0.2265 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0248 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0433 0.043
Brugia malayi hypothetical protein 0.0039 0.0207 0.0207
Onchocerca volvulus 0.0287 0.2287 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0248 0.5
Echinococcus multilocularis zinc finger protein 0.0024 0.0082 0.0079
Brugia malayi Bromodomain containing protein 0.0038 0.0203 0.0203
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0433 0.043
Schistosoma mansoni zinc finger protein 0.0024 0.0082 0.0103
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0248 0.0248
Entamoeba histolytica protein kinase, putative 0.005 0.0303 0.0282
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0285 0.2265 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0366 0.0366
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0366 0.0363
Leishmania major protein kinase, putative 0.0285 0.2265 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0849 0.0846
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0248 0.0201
Loa Loa (eye worm) hypothetical protein 0.0058 0.0366 0.0366
Mycobacterium leprae Probable lipase LipE 0.0043 0.0248 0.5
Echinococcus granulosus serine threonine protein kinase 0.0447 0.3621 0.3619
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0093 0.0093
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.026 0.026
Plasmodium falciparum ras-related protein Rab-5A 0.0039 0.0207 0.008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0058 0.0369 0.0366
Brugia malayi Ras-related protein ypt4 0.0039 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0039 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0058 0.0369 0.0369
Echinococcus granulosus GTP binding protein Parf 0.0039 0.0207 0.0204
Echinococcus multilocularis GTP binding protein Parf 0.0039 0.0207 0.0204
Loa Loa (eye worm) MBCTL1 0.0066 0.0433 0.0433
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0179
Onchocerca volvulus 0.0039 0.0207 0.0131
Brugia malayi chromobox protein homolog 3 0.0047 0.0279 0.0279
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0197 0.2621
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0248 0.0939
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0248 0.0245
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.026 0.0335
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0294 0.0291
Onchocerca volvulus 0.0043 0.0248 0.0328
Loa Loa (eye worm) STE/STE20/YSK protein kinase 0.0447 0.3621 0.3621
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0248 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0588 0.1227
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0294 0.0291
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0041 0.0226 0.0224
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.026 0.0335
Trichomonas vaginalis hypothetical protein 0.0039 0.0207 0.0124
Schistosoma mansoni hypothetical protein 0.035 0.2812 0.366
Leishmania major hypothetical protein, conserved 0.0039 0.0207 0.0753
Loa Loa (eye worm) hypothetical protein 0.0047 0.0279 0.0279
Brugia malayi Heterochromatin protein 1 0.0084 0.0588 0.0588
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0492 0.0492
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0197 0.0253
Trichomonas vaginalis esterase, putative 0.0043 0.0248 0.0244
Echinococcus granulosus chromobox protein 1 0.0084 0.0588 0.0585
Trypanosoma brucei Rab-like 5, small G protein 0.0039 0.0207 0.0753
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0366 0.0363
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0248 0.0244
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0019 0.0016
Brugia malayi RAB, member of RAS oncogene family-like 5 0.0039 0.0207 0.0207
Echinococcus multilocularis serine threonine protein kinase 0.0447 0.3621 0.3619
Schistosoma mansoni hypothetical protein 0.0039 0.0207 0.0265
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0366 0.0473
Schistosoma mansoni jumonji domain containing protein 0.0092 0.065 0.0844
Brugia malayi Protein kinase domain containing protein 0.0907 0.7467 0.7467
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0058 0.0369 0.0477
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0309 0.042
Brugia malayi PHD-finger family protein 0.0035 0.0179 0.0179
Echinococcus multilocularis peregrin 0.005 0.0299 0.0296
Brugia malayi mbt repeat family protein 0.0058 0.0366 0.0366
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0366 0.0363
Schistosoma mansoni serine/threonine protein kinase 0.0198 0.1539 0.2002
Loa Loa (eye worm) beta-lactamase 0.0043 0.0248 0.0248
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0019 0.0016
Plasmodium vivax SET domain protein, putative 0.0037 0.0197 0.0053
Schistosoma mansoni hypothetical protein 0.0035 0.0179 0.0229
Echinococcus multilocularis chromobox protein 1 0.0084 0.0588 0.0585
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Echinococcus multilocularis myosin iiia 0.0285 0.2265 0.2263
Onchocerca volvulus 0.0058 0.0366 0.0888
Loa Loa (eye worm) STE/STE20/MST protein kinase 0.121 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Plasmodium falciparum protein kinase, putative 0.0447 0.3621 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0588 0.0585
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.1782 0.178
Echinococcus granulosus histone lysine methyltransferase setb 0.0058 0.0369 0.0366
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0366 0.0473
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0366 0.0363
Entamoeba histolytica serine/threonine protein kinase STE20, putative 0.0285 0.2265 0.6029
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0433 0.043
Echinococcus granulosus rab protein 3 0.0039 0.0207 0.0204
Trypanosoma cruzi Rab-like 5, small G protein 0.0039 0.0207 0.0753
Brugia malayi beta-lactamase family protein 0.0043 0.0248 0.0248
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0248 0.0939
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0248 0.0244
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.005 0.0303 0.03
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0179 0.0176
Echinococcus granulosus peregrin 0.005 0.0299 0.0296
Brugia malayi PHD-finger family protein 0.003 0.0136 0.0136
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0433 0.0433
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0057 0.007
Loa Loa (eye worm) hypothetical protein 0.0066 0.0433 0.0433
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.005 0.0303 0.03
Trichomonas vaginalis STE family protein kinase 0.0447 0.3621 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2207 1
Brugia malayi Bromodomain containing protein 0.0091 0.0642 0.0642
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0248 0.0319
Schistosoma mansoni bromodomain containing protein 0.0076 0.0523 0.0678
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0051 0.0312 0.0403
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0248 0.0244
Onchocerca volvulus 0.0051 0.0312 0.0632
Loa Loa (eye worm) hypothetical protein 0.0046 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0039 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0043 0.0248 0.0248
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0112 0.0142
Echinococcus granulosus serine:threonine protein kinase 3 0.121 1 1
Brugia malayi Pre-SET motif family protein 0.0253 0.1997 0.1997
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0433 0.043
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0248 0.0245
Trichomonas vaginalis STE family protein kinase 0.0447 0.3621 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.1782 0.178
Schistosoma mansoni chromobox protein 0.0084 0.0588 0.0762
Schistosoma mansoni SET domain protein 0.0016 0.0022 0.0025
Schistosoma mansoni hypothetical protein 0.0025 0.0093 0.0117
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.0913 0.7518 0.7517
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0019 0.0019
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0366 0.0888
Echinococcus multilocularis rab protein 3 0.0039 0.0207 0.0204
Onchocerca volvulus 0.0043 0.0248 0.0328
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0179 0.0176
Brugia malayi F/Y-rich N-terminus family protein 0.0016 0.0022 0.0022
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0197 0.0194
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0309 0.0616
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.005 0.0303 0.03
Onchocerca volvulus Mitochondrial Rho GTPase homolog 0.0039 0.0207 0.0131
Echinococcus multilocularis ras-related protein rab-5 0.0039 0.0207 0.0204
Entamoeba histolytica serine/threonine-protein kinase 3, putative 0.0285 0.2265 0.6029

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 11.51 uM PubChem BioAssay. Development of Small Molecule Probes of the Histone Methyltransferase, NSD2 Measured in Biochemical System Using Plate Reader - 7053-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 0.02615 uM PUBCHEM_BIOASSAY: TRFRET-based biochemical high throughput dose response assay for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 16.622 um PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput dose response assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Screening (NR2E3 agonists, 3X)), 2325 (Summary), 2300 (Screening (NR2E3 agonists, 1X))] ChEMBL. No reference
IC50 (functional) > 39.841 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Screening (NR2E3 agonists, 3X)), 2325 (Summary), 2300 (Screening (NR2E3 agonists, 1X))] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 3.9811 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) 5.9728 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485292] ChEMBL. No reference
Potency (functional) 8.9125 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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