Detailed information for compound 1450049

Basic information

Technical information
  • TDR Targets ID: 1450049
  • Name: 2-[4-[4-(4-methoxyphenyl)piperazine-1-carbony l]piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo [2,3-b]pyrimidin-5-one
  • MW: 496.625 | Formula: C25H32N6O3S
  • H donors: 0 H acceptors: 2 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1cc(=O)n2c(n1)sc(n2)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(cc1)OC
  • InChi: 1S/C25H32N6O3S/c1-3-4-19-17-22(32)31-24(26-19)35-25(27-31)30-11-9-18(10-12-30)23(33)29-15-13-28(14-16-29)20-5-7-21(34-2)8-6-20/h5-8,17-18H,3-4,9-16H2,1-2H3
  • InChiKey: PQTPEZKGPIXWSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-piperidyl]-7-propyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one
  • 2-[4-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]-7-propyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one
  • 2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]carbonylpiperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[2,3-b]pyrimidin-5-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Herpes simplex virus (type 1 / strain 17) Alpha trans-inducing protein (VP16) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group F, member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Brugia malayi Steroid receptor seven-up type 2 Get druggable targets OG5_131829 All targets in OG5_131829
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131829 All targets in OG5_131829
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor nuclear receptor subfamily 2, group F, member 1 423 aa 354 aa 26.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0091 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3119 0.4134
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0091 0.0291
Echinococcus multilocularis thyroid hormone receptor alpha 0.0037 0.0438 0.1393
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0028 0.0235 0.0311
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.042 1 1
Brugia malayi nuclear receptor NHR-88 0.0037 0.0438 0.058
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.0438 0.1393
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.0438 0.058
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0028 0.0235 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1026 0.136
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.0438 0.058
Loa Loa (eye worm) hypothetical protein 0.0041 0.0551 0.073
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Mycobacterium tuberculosis Possible oxidoreductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Brugia malayi hypothetical protein 0.0019 0.0007 0.001
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0438 0.058
Echinococcus granulosus FTZ F1 alpha 0.0037 0.0438 0.1393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.0438 0.058
Brugia malayi MH2 domain containing protein 0.0144 0.3119 0.4134
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0028 0.0235 0.0145
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.0438 0.7947
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0028 0.0235 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1026 0.136
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0145 0.3144 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.042 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0551 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0091 0.0121
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0551 0.073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.0438 0.058
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0028 0.0235 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0028 0.0235 0.0746
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.0438 0.058
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0028 0.0235 0.0145
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0007 0.0133
Brugia malayi Steroid receptor seven-up type 2 0.0145 0.3144 0.4167
Schistosoma mansoni ap endonuclease 0.0023 0.0091 0.1657
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.0438 0.1393
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0037 0.0438 1
Trypanosoma brucei pteridine reductase 1 0.0028 0.0235 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0028 0.0235 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Brugia malayi nuclear receptor RXR 0.0019 0.0007 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1026 0.136
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0028 0.0235 0.0145
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.0438 0.7947
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.042 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.0438 0.1393
Mycobacterium tuberculosis Probable oxidoreductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0028 0.0235 0.0145
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0007 0.0133
Plasmodium falciparum enoyl-acyl carrier reductase 0.042 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.0438 0.7947
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.001
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0438 0.058
Schistosoma mansoni coup transcription factor 0.0037 0.0438 0.7947
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0007 0.001
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0037 0.0438 0.1393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.0438 0.058
Loa Loa (eye worm) hypothetical protein 0.0128 0.2713 0.3596
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0028 0.0235 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0091 0.0121
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0028 0.0235 0.0145
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0037 0.0438 0.1393
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0438 0.7947
Trichomonas vaginalis hypothetical protein 0.042 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.0438 0.058
Schistosoma mansoni dihydropteridine reductase 0.0028 0.0235 0.4256
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0028 0.0235 0.0145
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0438 0.1393
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.0438 0.058
Mycobacterium ulcerans oxidoreductase 0.0028 0.0235 0.0145
Trypanosoma brucei oxidoreductase-like protein 0.0028 0.0235 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0091 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.0438 0.058
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Schistosoma mansoni ap endonuclease 0.0023 0.0091 0.1657
Brugia malayi photoreceptor-specific nuclear receptor 0.0322 0.7545 1
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Onchocerca volvulus Bile acid receptor homolog 0.0037 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.001
Loa Loa (eye worm) nuclear hormone receptor 0.0126 0.2661 0.3527
Brugia malayi hypothetical protein 0.0019 0.0007 0.001
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.001
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0438 0.7947
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0028 0.0235 0.0145
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Onchocerca volvulus Protein ultraspiracle homolog 0.0037 0.0438 1
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0028 0.0235 0.0145
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.0438 0.058
Loa Loa (eye worm) hypothetical protein 0.0028 0.0235 0.0311
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0438 0.1393
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.0438 0.7947
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0028 0.0235 0.0145
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0028 0.0235 0.0145
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1026 0.136
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0007 0.0023
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Loa Loa (eye worm) hypothetical protein 0.0037 0.0438 0.058
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0.0235 0.0311
Leishmania major oxidoreductase-like protein 0.0028 0.0235 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0028 0.0235 0.0746
Brugia malayi nuclear hormone receptor 0.0037 0.0438 0.058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.0438 0.058
Loa Loa (eye worm) retinol dehydrogenase 12 0.0028 0.0235 0.0311
Loa Loa (eye worm) hypothetical protein 0.0322 0.7545 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0037 0.0438 0.7947
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0028 0.0235 0.0145
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0028 0.0235 0.0145
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0028 0.0235 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0091 0.0291
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.0438 0.1393
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0028 0.0235 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.0438 0.058
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.0438 0.7947
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0007 0.001
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0438 0.1393
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0037 0.0438 0.058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0438 0.058
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3119 0.4134
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.0438 0.058
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0037 0.0438 0.1393
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0438 0.058
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Onchocerca volvulus 0.0037 0.0438 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0028 0.0235 0.0145
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.0438 0.1393
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0028 0.0235 0.0145
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0028 0.0235 0.0145
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.0438 0.058
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0028 0.0235 1
Leishmania major pteridine reductase 1 0.0028 0.0235 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0438 0.7947
Loa Loa (eye worm) oxidoreductase 0.0028 0.0235 0.0311
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0028 0.0235 0.4256
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short chain dehydrogenase 0.0028 0.0235 0.0145
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0438 0.1393
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.0438 0.058
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.0438 0.1393
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.042 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0145 0.3144 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0438 0.058
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.0438 0.7947
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0438 0.058
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0438 0.7947
Plasmodium vivax enoyl-acyl carrier protein reductase 0.042 1 1
Brugia malayi ecdysteroid receptor 0.0037 0.0438 0.058
Mycobacterium tuberculosis Possible oxidoreductase 0.0028 0.0235 0.0145
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0028 0.0235 0.0145
Echinococcus multilocularis FTZ F1 alpha 0.0037 0.0438 0.1393
Schistosoma mansoni retinoic acid receptor RXR 0.0037 0.0438 0.7947
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0028 0.0235 0.0145
Brugia malayi steroid hormone receptor 0.0037 0.0438 0.058
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0028 0.0235 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0007 0.0023

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 4.094 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 4.44 uM PubChem BioAssay. Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3):Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 7.177 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify inhibitors of COUP-TFII (NR2F2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 85.413 uM PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6213 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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