Detailed information for compound 897333

Basic information

Technical information
  • TDR Targets ID: 897333
  • Name: 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoic a cid
  • MW: 297.372 | Formula: C17H15NO2S
  • H donors: 2 H acceptors: 2 LogP: 3.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCc1[nH]c2c(c1Sc1ccccc1)cccc2
  • InChi: 1S/C17H15NO2S/c19-16(20)11-10-15-17(21-12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-15/h1-9,18H,10-11H2,(H,19,20)
  • InChiKey: OOUCSMAWBDNISE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid
  • 3-[3-(phenylthio)-1H-indol-2-yl]propionic acid
  • STOCK2S-92171
  • 3-[3-(Phenylsulfanyl)-1H-indol-2-yl]propanoic acid
  • Oprea1_150915
  • BAS 01507635
  • Propanoic acid, 3-(3-phenylthio-2-indolyl)-
  • Oprea1_487000
  • 3-(3-Phenylsulfanyl-1H-indol-2-yl)-propionic acid
  • EU-0050987

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
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
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0554 0.0555
Mycobacterium ulcerans hypothetical protein 0.0305 0.5726 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0104 0.0194
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0104 0.0104
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0104 0.0104
Onchocerca volvulus 0.001 0.0104 0.0194
Loa Loa (eye worm) hypothetical protein 0.0037 0.0606 0.0606
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0606 0.0606
Echinococcus multilocularis abhydrolase domain containing 3 0.0018 0.025 0.025
Brugia malayi CXXC zinc finger family protein 0.0029 0.0469 0.0469
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.0694
Onchocerca volvulus 0.0037 0.0606 0.1127
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0104 0.0104
Schistosoma mansoni inositol monophosphatase 0.0038 0.0629 0.0629
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0104 0.0104
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0104 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0072 0.0072
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0018 0.025 0.025
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0305 0.5726 1
Brugia malayi olfactory channel protein osm-9 0.0005 0.0002 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0104 0.0104
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0064 0.1124 0.1124
Brugia malayi Pre-SET motif family protein 0.0037 0.0606 0.0606
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0104 0.0104
Mycobacterium ulcerans lysophospholipase 0.0305 0.5726 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Trypanosoma brucei monoglyceride lipase, putative 0.0305 0.5726 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0629 0.5084
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0064 0.1124 0.1597
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0305 0.5726 1
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0104 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0104 0.0104
Leishmania major hypothetical protein, conserved 0.0064 0.1124 0.1597
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0104 0.0104
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0104 0.0104
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0104 0.0104
Loa Loa (eye worm) amidase 0.0064 0.1124 0.1124
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0104 0.0104
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0018 0.025 0.025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0104 0.0104
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.4707 0.4707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0104 0.0104
Loa Loa (eye worm) histone methyltransferase 0.001 0.0106 0.0106
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0072
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0104 0.0104
Plasmodium falciparum lysophospholipase, putative 0.0305 0.5726 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0064 0.1124 0.1124
Plasmodium falciparum lysophospholipase, putative 0.0305 0.5726 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0104 0.0104
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0018 0.025 0.0379
Echinococcus granulosus ankyrin repeat protein 0.0156 0.2887 0.2887
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0064 0.1124 0.1597
Schistosoma mansoni cpg binding protein 0.0031 0.0501 0.0501
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0018 0.025 0.0379
Echinococcus granulosus fatty acid amide hydrolase 1 0.053 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0104 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0305 0.5726 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0064 0.1124 0.1597
Echinococcus granulosus fatty acid amide hydrolase 1 0.0064 0.1124 0.1124
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0629 0.1046
Loa Loa (eye worm) hypothetical protein 0.0018 0.025 0.025
Echinococcus multilocularis dnaJ subfamily B 0.042 0.7911 0.7911
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0072 0.0072
Schistosoma mansoni fatty-acid amide hydrolase 0.0064 0.1124 0.1124
Brugia malayi Amidase family protein 0.0064 0.1124 0.1124
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0064 0.1124 0.1103
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0018 0.025 0.0379
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0629 0.0629
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0305 0.5726 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0305 0.5726 1
Schistosoma mansoni hypothetical protein 0.042 0.7911 0.7911
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0104 0.0104
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0305 0.5726 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0104 0.0104
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0606 0.0606
Mycobacterium ulcerans amidase 0.0064 0.1124 0.1597
Echinococcus multilocularis cpg binding protein 0.0031 0.0501 0.0501
Brugia malayi Amidase family protein 0.0064 0.1124 0.1124
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0104 0.0104
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0064 0.1124 1
Loa Loa (eye worm) hypothetical protein 0.0153 0.283 0.283
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0018 0.025 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Echinococcus granulosus fatty acid amide hydrolase 1 0.053 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.025 0.025
Brugia malayi nuclear receptor NHR-88 0.001 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0104 0.0104
Schistosoma mansoni transient receptor potential channel 0.0005 0.0002 0.0002
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0104 0.0104
Brugia malayi Muscleblind-like protein 0.0153 0.283 0.283
Trypanosoma brucei monoglyceride lipase, putative 0.0305 0.5726 1
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0011 0.0011
Loa Loa (eye worm) inositol-1 0.0038 0.0629 0.0629
Plasmodium falciparum esterase, putative 0.0305 0.5726 1
Brugia malayi nuclear receptor RXR 0.0005 0.0011 0.0011
Echinococcus granulosus cpg binding protein 0.0031 0.0501 0.0501
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.0694
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.0694
Echinococcus multilocularis fatty acid amide hydrolase 1 0.053 1 1
Mycobacterium ulcerans amidase 0.0064 0.1124 0.1597
Brugia malayi putative amidase 0.0064 0.1124 0.1124
Brugia malayi MGC83647 protein 0.0018 0.025 0.025
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0606 0.0606
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0606 0.0606
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0305 0.5726 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0104 0.0104
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0629 0.1046
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0011 0.0011
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0606 0.4767
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0104 0.0104
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0064 0.1124 0.1597
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0011 0.0011
Echinococcus granulosus dnaJ subfamily B 0.042 0.7911 0.7911
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0013 0.0013
Echinococcus granulosus transient receptor potential cation channel 0.0161 0.2978 0.2978
Loa Loa (eye worm) hypothetical protein 0.0005 0.0011 0.0011
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0104 0.0104
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0305 0.5726 1
Brugia malayi MGC79044 protein 0.0018 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Schistosoma mansoni amidase 0.053 1 1
Schistosoma mansoni inositol monophosphatase 0.0038 0.0629 0.0629
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Trypanosoma cruzi amidase, putative 0.0064 0.1124 0.1597
Trichomonas vaginalis conserved hypothetical protein 0.0305 0.5726 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0064 0.1124 0.1597
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0305 0.5726 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0104 0.0104
Plasmodium falciparum lysophospholipase, putative 0.0305 0.5726 1
Brugia malayi Inositol-1 0.0038 0.0629 0.0629
Echinococcus multilocularis short transient receptor potential channel 6 0.0005 0.0002 0.0002
Echinococcus granulosus transient receptor potential cation channel 0.0005 0.0002 0.0002
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0018 0.025 0.0379
Loa Loa (eye worm) hypothetical protein 0.0018 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0005 0.0011 0.0011
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0064 0.1124 0.1124
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0104 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0104 0.0194
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0629 0.0694
Onchocerca volvulus 0.0029 0.0469 0.0872
Echinococcus granulosus Phospholipase carboxylesterase 0.0018 0.025 0.025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0997 1
Leishmania major monoglyceride lipase, putative 0.0305 0.5726 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0104 0.0104
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1124 0.1124
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0018 0.025 0.0379
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0064 0.1124 0.1597
Loa Loa (eye worm) amidase 0.0064 0.1124 0.1124
Echinococcus multilocularis ankyrin repeat protein 0.0156 0.2887 0.2887
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0064 0.1124 0.1597
Schistosoma mansoni thyroid hormone receptor 0.001 0.0104 0.0104
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0104 0.0104
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0305 0.5726 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0011 0.0011
Trichomonas vaginalis set domain proteins, putative 0.0287 0.5369 0.9373
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0011 0.0011
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0064 0.1124 0.1103
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0104 0.0104
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0629 0.0694
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0018 0.025 0.0379
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0629 0.1046
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0629 0.0629
Schistosoma mansoni cpg binding protein 0.0031 0.0501 0.0501
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0064 0.1124 0.5
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0064 0.1124 0.1597
Schistosoma mansoni coup transcription factor 0.001 0.0104 0.0104
Brugia malayi Protein C20orf22 0.0018 0.025 0.025
Echinococcus granulosus short transient receptor potential channel 6 0.0005 0.0002 0.0002
Mycobacterium tuberculosis Possible lysophospholipase 0.0305 0.5726 1
Schistosoma mansoni cpg binding protein 0.0029 0.0469 0.0469
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0064 0.1124 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0305 0.5726 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0106 0.0106
Schistosoma mansoni nuclear hormone receptor 0.001 0.0104 0.0104
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Echinococcus granulosus abhydrolase domain containing protein 13 0.0018 0.025 0.025
Echinococcus granulosus muscleblind protein 0.0153 0.283 0.283
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Echinococcus granulosus FTZ F1 alpha 0.001 0.0104 0.0104
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0072 0.0072
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0104 0.0194
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0156 0.2887 0.2887
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0064 0.1124 0.1124
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0018 0.025 0.025
Echinococcus multilocularis Phospholipase carboxylesterase 0.0018 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0005 0.0011 0.0011
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0018 0.025 0.0379
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0104 0.0104
Schistosoma mansoni thyroid hormone receptor 0.001 0.0104 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0104 0.0104
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0606 0.0606
Brugia malayi ecdysteroid receptor 0.001 0.0104 0.0104
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0568 0.0568
Plasmodium vivax PST-A protein 0.0305 0.5726 1
Echinococcus granulosus abhydrolase domain containing 3 0.0018 0.025 0.025
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0469 0.0469
Loa Loa (eye worm) hypothetical protein 0.0018 0.025 0.025
Schistosoma mansoni peptidase 0.0018 0.025 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.025 0.0379
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0104 0.0104
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0104 0.0104
Brugia malayi hypothetical protein 0.0005 0.0011 0.0011
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0072 0.0072
Schistosoma mansoni fatty-acid amide hydrolase 0.053 1 1
Mycobacterium ulcerans amidase 0.0064 0.1124 0.1597
Trypanosoma cruzi amidase, putative 0.0064 0.1124 0.1597
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0104 0.0104
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0011 0.0011
Onchocerca volvulus 0.0287 0.5373 1
Echinococcus multilocularis muscleblind protein 1 0.0153 0.283 0.283
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0104 0.0104
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0629 0.0694
Leishmania major hypothetical protein, conserved 0.0018 0.025 0.0000001096
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0011 0.0011
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0064 0.1124 0.1597
Loa Loa (eye worm) hypothetical protein 0.0005 0.0011 0.0011
Mycobacterium ulcerans peptide amidase, GatA 0.0064 0.1124 0.1597
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.0018 0.025 0.025
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0104 0.0104
Echinococcus multilocularis transient receptor potential cation channel 0.0161 0.2982 0.2982
Loa Loa (eye worm) hypothetical protein 0.0153 0.283 0.283
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0104 0.0104
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0104 0.0104
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0018 0.025 0.025
Plasmodium vivax SET domain protein, putative 0.0037 0.0606 0.065
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0104 0.0104
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0018 0.025 0.0379
Mycobacterium ulcerans amidase 0.0064 0.1124 0.1597
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.053 1 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0002 0.0002
Mycobacterium ulcerans amidase 0.0064 0.1124 0.1597
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0106 0.0106
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0606 0.0606
Echinococcus multilocularis fatty acid amide hydrolase 1 0.053 1 1
Brugia malayi steroid hormone receptor 0.001 0.0104 0.0104
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0104 0.0104
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0606 0.0606
Echinococcus multilocularis muscleblind protein 0.0153 0.283 0.283
Brugia malayi hypothetical protein 0.0005 0.0011 0.0011
Brugia malayi Pre-SET motif family protein 0.0252 0.4707 0.4707
Loa Loa (eye worm) hypothetical protein 0.0005 0.0011 0.0011
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.0002 0.0002
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0018 0.025 0.0379
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0104 0.0104
Loa Loa (eye worm) hypothetical protein 0.001 0.0104 0.0104
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0104 0.0104
Brugia malayi nuclear hormone receptor 0.001 0.0104 0.0104

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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.
 
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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