Detailed information for compound 1290484

Basic information

Technical information
  • TDR Targets ID: 1290484
  • Name: 6-(5-methyl-2-oxoimidazolidin-4-yl)-N-(2-phen ylethyl)hexanamide
  • MW: 317.426 | Formula: C18H27N3O2
  • H donors: 3 H acceptors: 2 LogP: 2.46 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCCc1ccccc1)CCCCCC1NC(=O)NC1C
  • InChi: 1S/C18H27N3O2/c1-14-16(21-18(23)20-14)10-6-3-7-11-17(22)19-13-12-15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3,(H,19,22)(H2,20,21,23)
  • InChiKey: ZUWQXYDMMUZDNB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(5-methyl-2-oxo-imidazolidin-4-yl)-N-(2-phenylethyl)hexanamide
  • 6-(5-methyl-2-oxo-4-imidazolidinyl)-N-(2-phenylethyl)hexanamide
  • 6-(2-keto-5-methyl-imidazolidin-4-yl)-N-(2-phenylethyl)hexanamide
  • MLS000052067
  • SMR000081349
  • A3415/0144866

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 10 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative Get druggable targets OG5_129677 All targets in OG5_129677
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
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
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis c Jun NH2 terminal kinase Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis chromobox protein, putative 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
Brugia malayi Stress-activated protein kinase jnk-1 Get druggable targets OG5_129677 All targets in OG5_129677
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus c-Jun N-terminal kinases Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein 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
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni jumonji 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 granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Chromobox protein homolog 5, 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
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis jumonji domain containing protein 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 granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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_131570 All targets in OG5_131570
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing Get druggable targets OG5_129677 All targets in OG5_129677
Plasmodium yoelii hypothetical protein 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
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_131570 All targets in OG5_131570
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0817 0.1257
Loa Loa (eye worm) hypothetical protein 0.0035 0.0386 0.0379
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.012 0.0183
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.012 0.0174
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1927 0.3145
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1471 0.2273
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1242 0.2023
Echinococcus multilocularis chromobox protein 1 0.0084 0.1327 0.2163
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0377 0.0605
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0685 0.0687
Loa Loa (eye worm) hypothetical protein 0.0306 0.5604 0.5601
Brugia malayi jmjC domain containing protein 0.0115 0.1927 0.1927
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.097 0.1577
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0573 0.0566
Brugia malayi Bromodomain containing protein 0.0046 0.0599 0.0599
Loa Loa (eye worm) hypothetical protein 0.018 0.3179 0.3174
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1096 0.1783
Schistosoma mansoni thyroid hormone receptor 0.0021 0.012 0.0174
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0817 0.081
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.012 0.012
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0232 0.0368
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0799 0.1228
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.012 0.0183
Schistosoma mansoni chromobox protein 0.0084 0.1327 0.205
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0105 0.0159
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.012 0.012
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0402 1
Brugia malayi Pre-SET motif family protein 0.0251 0.4544 0.4544
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0544 0.0878
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Schistosoma mansoni hypothetical protein 0.0025 0.0188 0.028
Loa Loa (eye worm) hypothetical protein 0.0049 0.0655 0.0648
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0529 0.0854
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0386 0.062
Brugia malayi Pre-SET motif family protein 0.0036 0.0402 0.0402
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.012 0.0183
Echinococcus multilocularis chromobox protein 1 0.0084 0.1327 0.2163
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.012 0.0174
Trypanosoma brucei ISWI complex protein 0.0018 0.0064 0.0457
Leishmania major hypothetical protein, conserved 0.0018 0.0064 0.0457
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0651 0.1055
Brugia malayi photoreceptor-specific nuclear receptor 0.0306 0.5604 0.5604
Trypanosoma cruzi ISWI complex protein 0.0018 0.0064 0.0457
Brugia malayi isocitrate dehydrogenase 0.0016 0.0008 0.0008
Echinococcus multilocularis zinc finger protein 0.0024 0.0164 0.0255
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.012 0.0112
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0685 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.012 0.012
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.012 0.012
Echinococcus granulosus peregrin 0.0038 0.0441 0.071
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1242 0.2023
Schistosoma mansoni zinc finger protein 0.0018 0.0064 0.0088
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0188 0.0181
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0278 0.5064 0.8285
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0386 0.9589
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0386 0.0379
Loa Loa (eye worm) hypothetical protein 0.0057 0.0799 0.0791
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0018 0.001
Schistosoma mansoni chromobox protein 0.0084 0.1327 0.205
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1242 1
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0573 0.0926
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.1581 0.0671
Plasmodium falciparum phd finger protein, putative 0.0035 0.0386 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.097 0.1577
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0799 0.1296
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.012 0.012
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0667 0.1024
Echinococcus granulosus muscleblind protein 0.018 0.3179 0.5197
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.012 0.0174
Loa Loa (eye worm) hypothetical protein 0.0046 0.06 0.0593
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.097 0.1577
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.012 0.0174
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1107 0.11
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0616 0.0545
Echinococcus granulosus chromobox protein 1 0.0084 0.1327 0.2163
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Brugia malayi Stress-activated protein kinase jnk-1 0.0278 0.5064 0.5064
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.012 0.0183
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0386 0.9589
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0597 0.0965
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.012 0.012
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0018 0.0017
Loa Loa (eye worm) hypothetical protein 0.0066 0.097 0.0963
Loa Loa (eye worm) runx1 0.0067 0.1 0.0993
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.012 0.0183
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1242 0.1918
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1242 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.012 0.0112
Brugia malayi mbt repeat family protein 0.0058 0.0817 0.0817
Brugia malayi nuclear hormone receptor 0.0021 0.012 0.012
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0817 0.1326
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0817 0.1326
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.012 0.0183
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.611 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.012 0.012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.012 0.012
Echinococcus granulosus FTZ F1 alpha 0.0021 0.012 0.0183
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.012 0.0183
Trichomonas vaginalis set domain proteins, putative 0.0286 0.5212 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.012 0.0174
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0817 0.1257
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.012 0.0183
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1327 0.2008
Loa Loa (eye worm) hypothetical protein 0.018 0.3179 0.3174
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0386 0.062
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0817 0.1326
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.012 0.0183
Loa Loa (eye worm) hypothetical protein 0.0085 0.1352 0.1345
Loa Loa (eye worm) MBCTL1 0.0066 0.097 0.0963
Giardia lamblia DNA repair protein RAD52 0.0342 0.6289 1
Brugia malayi jmjC domain containing protein 0.0045 0.0573 0.0573
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.012 0.0183
Onchocerca volvulus 0.005 0.0667 0.0554
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.012 0.0112
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0799 0.1296
Echinococcus multilocularis muscleblind protein 0.018 0.3179 0.5197
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.012 0.0183
Brugia malayi Muscleblind-like protein 0.018 0.3179 0.3179
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Brugia malayi PHD-finger family protein 0.003 0.0287 0.0287
Brugia malayi CHD4 protein 0.0016 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Echinococcus granulosus zinc finger protein 0.0024 0.0164 0.0255
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0597 0.0965
Loa Loa (eye worm) hypothetical protein 0.0047 0.0616 0.0609
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.012 0.0174
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.012 0.0183
Brugia malayi steroid hormone receptor 0.0021 0.012 0.012
Schistosoma mansoni hypothetical protein 0.0018 0.0064 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.012 0.012
Schistosoma mansoni lozenge 0.0067 0.1 0.1541
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.012 0.0112
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.012 0.0112
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.012 0.012
Echinococcus granulosus chromobox protein 1 0.0084 0.1327 0.2163
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.012 0.0174
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0105 0.0151
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.012 0.0112
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0573 0.0878
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0278 0.5064 0.506
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1927 0.3145
Entamoeba histolytica hypothetical protein 0.0097 0.1581 0.0671
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1327 0.2008
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0685 0.0572
Onchocerca volvulus 0.0286 0.5212 0.5154
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.4544 0.454
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0018 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.012 0.0183
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0386 0.0588
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.097 0.1495
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.012 0.0183
Loa Loa (eye worm) hypothetical protein 0.0052 0.07 0.0692
Brugia malayi PHD-finger family protein 0.0035 0.0386 0.0386
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.012 0.0112
Loa Loa (eye worm) hypothetical protein 0.0021 0.012 0.0112
Echinococcus multilocularis Protein lozenge 0.0067 0.1 0.1625
Schistosoma mansoni zinc finger protein 0.0024 0.0164 0.0242
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0573 0.0878
Echinococcus multilocularis muscleblind protein 1 0.018 0.3179 0.5197
Brugia malayi chromobox protein homolog 3 0.0047 0.0616 0.0616
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0402 0.0613
Schistosoma mansoni hypothetical protein 0.035 0.6446 1
Brugia malayi nuclear receptor NHR-88 0.0021 0.012 0.012
Onchocerca volvulus Alhambra homolog 0.0035 0.0386 0.027
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0008 0.0008
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0232 0.0368
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0342 0.6289 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0402 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1096 0.1783
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0119 0.0112
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0651 0.1055
Schistosoma mansoni thyroid hormone receptor 0.0021 0.012 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.012 0.012
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0232 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.012 0.012
Onchocerca volvulus 0.0058 0.0817 0.0706
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1327 0.1321
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.097 0.1577
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.012 0.0174
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0616 0.0545
Brugia malayi Bromodomain containing protein 0.0091 0.1451 0.1451
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.012 0.0183
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.012 0.0174
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.611 1
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.012 0.0183
Schistosoma mansoni nuclear hormone receptor 0.0021 0.012 0.0174
Brugia malayi Bromodomain containing protein 0.0038 0.0441 0.0441
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.012 0.012
Schistosoma mansoni serine/threonine protein kinase 0.0278 0.5064 0.7853
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0799 0.1228
Schistosoma mansoni bromodomain containing protein 0.0076 0.1179 0.1819
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1242 0.1236
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0402 0.0647
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0018 0.0016
Onchocerca volvulus 0.0037 0.042 0.0304
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0616 0.0502
Echinococcus multilocularis peregrin 0.0038 0.0441 0.071
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0817 0.1257
Brugia malayi Heterochromatin protein 1 0.0084 0.1327 0.1327
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.012 0.0183
Schistosoma mansoni hypothetical protein 0.0035 0.0386 0.0588
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.006 0.087 0.0863
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1242 0.1242
Trypanosoma cruzi ISWI complex protein 0.0018 0.0064 0.0457
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0008 0.5
Echinococcus granulosus c-Jun N-terminal kinases 0.0278 0.5064 0.8285
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.4076 0.6666
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0105 0.0159
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.012 0.0112
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0817 0.1326
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.012 0.012
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0386 0.9589
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.097 0.097
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0817 0.0706
Brugia malayi ecdysteroid receptor 0.0021 0.012 0.012
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.4076 0.6666
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0105 0.0151
Schistosoma mansoni coup transcription factor 0.0021 0.012 0.0174
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0544 0.0878
Brugia malayi mbt repeat family protein 0.0058 0.0817 0.0817
Loa Loa (eye worm) hypothetical protein 0.0037 0.042 0.0413
Loa Loa (eye worm) hypothetical protein 0.0058 0.0817 0.081

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1.928 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 1.056 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
IC50 (functional) = 3.006 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 (binding) = 6.263 um PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3). (Class of assay: confirmatory) [Related pubchem assays: 746 ] ChEMBL. No reference
IC50 (functional) = 6.363 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 0.4467 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 1.4125 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) 2.5119 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 (binding) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 3.5481 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) 3.9811 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) 18.3489 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) = 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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