Detailed information for compound 1391198

Basic information

Technical information
  • TDR Targets ID: 1391198
  • Name: 2-benzo[e][1]benzoxol-1-yl-N-(1,3-thiazol-2-y l)acetamide
  • MW: 308.354 | Formula: C17H12N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1coc2c1c1ccccc1cc2)Nc1nccs1
  • InChi: 1S/C17H12N2O2S/c20-15(19-17-18-7-8-22-17)9-12-10-21-14-6-5-11-3-1-2-4-13(11)16(12)14/h1-8,10H,9H2,(H,18,19,20)
  • InChiKey: GFCPFOLXOGNGQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-benzo[e]benzofuran-1-yl-N-thiazol-2-yl-acetamide
  • 2-(1-benzo[e]benzofuranyl)-N-(2-thiazolyl)acetamide
  • 2-benzo[e][1]benzoxol-1-yl-N-(1,3-thiazol-2-yl)ethanamide
  • 2-naphtho[2,1-b]furan-1-yl-N-1,3-thiazol-2-ylacetamide
  • MLS000534903
  • SMR000142338
  • Oprea1_234571
  • STOCK3S-98191
  • ZINC02666663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0005 0 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Echinococcus granulosus cpg binding protein 0.0037 0.0654 0.0654
Leishmania major short chain dehydrogenase, putative 0.0005 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0006 0.0022 0.007
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0036 0.0114
Leishmania major hypothetical protein, conserved 0.0005 0 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0005 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0154 0.0482
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0005 0 0.5
Schistosoma mansoni coup transcription factor 0.0012 0.0154 0.0154
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0022 0.0022
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0022 0.0022
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0154 0.0482
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) 0.01 0.194 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0 0.5
Toxoplasma gondii divalent metal transporter, putative 0.0161 0.3197 1
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0114
Brugia malayi ecdysteroid receptor 0.0012 0.0154 0.0482
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0154 0.0154
Schistosoma mansoni divalent metal transporter DMT1B 0.0161 0.3197 0.3197
Onchocerca volvulus 0.0012 0.0154 0.0482
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0154 0.0482
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0062 0.1162 0.3635
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Brugia malayi nuclear receptor NHR-67 0.0006 0.0022 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0005 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0154 0.0482
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0036 0.0114
Entamoeba histolytica hypothetical protein, conserved 0.0005 0 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0005 0 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0022 0.0022
Brugia malayi nuclear receptor RXR 0.0006 0.0036 0.0114
Echinococcus granulosus divalent metal transporter DMT1B 0.0161 0.3197 0.3197
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Giardia lamblia Hypothetical protein 0.0005 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0154 0.0482
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0081 0.0081
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0006 0.0022 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Leishmania major short chain dehydrogenase-like protein 0.0005 0 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1408 0.1408
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0154 0.0482
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0154 0.0482
Echinococcus multilocularis cpg binding protein 0.0037 0.0654 0.0654
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0 0.5
Onchocerca volvulus 0.0035 0.0614 0.1919
Loa Loa (eye worm) nuclear receptor NHR-67 0.0006 0.0022 0.007
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0 0.5
Mycobacterium leprae possible membrane transport protein 0.0062 0.1162 0.5991
Leishmania major hypothetical protein, conserved 0.0005 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0006 0.0022 0.0022
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0154 0.0154
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0005 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0036 0.0036
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Brugia malayi NRAMP-like transporter K11G12.4 0.0161 0.3197 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0036 0.0036
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Brugia malayi nuclear hormone receptor 0.0012 0.0154 0.0482
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0154 0.0154
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0 0.5
Echinococcus multilocularis divalent metal transporter DMT1B 0.0161 0.3197 0.3197
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0154 0.0154
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0154 0.0482
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0154 0.0482
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0114
Brugia malayi nuclear hormone receptor family member odr-7 0.0006 0.0022 0.007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0006 0.0006
Giardia lamblia Short-chain dehydrogenase, putative 0.0005 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0006 0.0022 0.007
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0154 0.0154
Plasmodium vivax metal transporter, putative 0.0161 0.3197 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0005 0 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0154 0.0154
Onchocerca volvulus Protein Malvolio homolog 0.0161 0.3197 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0154 0.0482
Onchocerca volvulus 0.0006 0.0022 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0154 0.0154
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0614 0.1919
Loa Loa (eye worm) hypothetical protein 0.0161 0.3197 1
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0022 0.0022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Leishmania major pteridine reductase 1 0.0005 0 0.5
Mycobacterium ulcerans divalent cation-transport integral membrane protein 0.0062 0.1162 0.3635
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0154 0.0154
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0154 0.0482
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Brugia malayi conserved hypotetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0114
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0154 0.0482
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0006 0.0022 0.0022
Brugia malayi steroid hormone receptor 0.0012 0.0154 0.0482
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0154 0.0154
Trichomonas vaginalis helicase, putative 0.0008 0.0065 1
Schistosoma mansoni cpg binding protein 0.0035 0.0614 0.0614
Leishmania major hypothetical protein, conserved 0.0005 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0114
Giardia lamblia Reductase, putative 0.0005 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0154 0.0154
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0154 0.0154
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0154 0.0154
Echinococcus granulosus Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Entamoeba histolytica hypothetical protein 0.0005 0 0.5
Schistosoma mansoni divalent metal transporter DMT1B 0.0161 0.3197 0.3197
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0154 0.0154
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1248 0.3903
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Echinococcus granulosus nuclear receptor nhr 48 0.0006 0.0022 0.0022
Brugia malayi CXXC zinc finger family protein 0.0035 0.0614 0.1919
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0006 0.0022 0.007
Echinococcus granulosus Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Leishmania major short chain dehydrogenase, putative 0.0005 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0022 0.007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0 0.5
Brugia malayi tailless protein 0.0006 0.0022 0.007
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Brugia malayi hypothetical protein 0.0006 0.0036 0.0114
Leishmania major oxidoreductase-like protein 0.0005 0 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0154 0.0154
Schistosoma mansoni zinc finger protein 0.0006 0.0022 0.0022
Loa Loa (eye worm) nuclear hormone receptor 0.0006 0.0022 0.007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0154 0.0482
Brugia malayi ecdysone receptor 0.0006 0.0022 0.007
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0154 0.0482
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0006 0.0022 0.0022
Brugia malayi nuclear receptor RXR 0.0006 0.0022 0.007
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0154 0.0154
Trypanosoma brucei oxidoreductase-like protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0154 0.0482
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0154 0.0154
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0006 0.0022 0.0022
Loa Loa (eye worm) DR-78 0.0006 0.0022 0.007
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0154 0.0482
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0005 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0022 0.007
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0154 0.0482
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Brugia malayi nuclear receptor NHR-88 0.0012 0.0154 0.0482
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0154 0.0482
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0154 0.0482
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Leishmania major dehydrogenase-like protein 0.0005 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Leishmania major hypothetical protein, conserved 0.0005 0 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0154 0.0482
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) 0.01 0.194 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0154 0.0154
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0154 0.0482
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0005 0 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0005 0 0.5
Onchocerca volvulus 0.0006 0.0022 0.007
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0154 0.0482
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0154 0.0154
Brugia malayi orphan nuclear receptor NR2E1 0.0006 0.0022 0.007
Plasmodium falciparum transporter, putative 0.0161 0.3197 1
Mycobacterium ulcerans manganese transport protein MntH 0.0161 0.3197 1
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0154 0.0154
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Brugia malayi hypothetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0005 0 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0121 0.0379
Brugia malayi nuclear hormone receptor 0.0006 0.0022 0.007
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0036 0.0036
Brugia malayi hypothetical protein 0.0006 0.0036 0.0114
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0036 0.0114
Schistosoma mansoni nuclear receptor 0.0006 0.0022 0.0022
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0006 0.0022 0.0022
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0006 0.0022 0.0022
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0006 0.0022 0.007
Schistosoma mansoni nuclear receptor 0.0006 0.0022 0.0022
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0154 0.0154
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0124 0.0388
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0154 0.0154
Leishmania major quinonoid dihydropteridine reductase 0.0005 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.3197 1
Brugia malayi hypothetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0154 0.0482
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0006 0.0022 0.007
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0154 0.0482
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0154 0.0482
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0482
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0154 0.0482
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.007
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0154 0.0482

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.