Detailed information for compound 1255727

Basic information

Technical information
  • TDR Targets ID: 1255727
  • Name: ethyl 4-hydroxy-4-methyl-6-phenyl-2-sulfanyli dene-1,3-diazinane-5-carboxylate
  • MW: 294.369 | Formula: C14H18N2O3S
  • H donors: 2 H acceptors: 2 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1C(N=C(NC1(C)O)S)c1ccccc1
  • InChi: 1S/C14H18N2O3S/c1-3-19-12(17)10-11(9-7-5-4-6-8-9)15-13(20)16-14(10,2)18/h4-8,10-11,18H,3H2,1-2H3,(H2,15,16,20)
  • InChiKey: SEBOOWFVVOJZRZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 4-hydroxy-4-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate
  • 4-hydroxy-4-methyl-6-phenyl-2-thioxo-5-hexahydropyrimidinecarboxylic acid ethyl ester
  • 4-hydroxy-4-methyl-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester
  • ethyl 4-hydroxy-4-methyl-6-phenyl-2-thioxohexahydropyrimidine-5-carboxylate
  • A3383/0143554
  • MLS000728928
  • SMR000307206

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
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 MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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
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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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 brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0098 0.0558 0.0558
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0098 0.0558 0.0558
Schistosoma mansoni hypothetical protein 0.0205 0.1345 0.1345
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0175 0.0181
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0175 0.0768
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0098 0.0558 0.058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0098 0.0558 0.2455
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0052 0.0216 0.0948
Brugia malayi nuclear receptor RXR 0.0046 0.0175 0.0768
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0098 0.0558 0.2455
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1323 0.9616 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0046 0.0175 0.0181
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0948
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0052 0.0216 0.0216
Loa Loa (eye worm) nuclear receptor NHR-67 0.0046 0.0175 0.0768
Brugia malayi nuclear receptor NHR-67 0.0046 0.0175 0.0768
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0098 0.0558 0.0558
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0175 0.0175
Schistosoma mansoni retinoic acid receptor RXR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0948
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0948
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0046 0.0175 0.0181
Mycobacterium ulcerans glutaminase 0.033 0.2273 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0098 0.0558 0.2455
Brugia malayi conserved hypotetical protein 0.0046 0.0175 0.0768
Brugia malayi tailless protein 0.0046 0.0175 0.0768
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0948
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0046 0.0175 0.0175
Echinococcus multilocularis geminin 0.0205 0.1345 0.1399
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0898 0.3951
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0558 0.058
Brugia malayi hypothetical protein 0.0052 0.0216 0.0948
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Brugia malayi ecdysone receptor 0.0046 0.0175 0.0768
Schistosoma mansoni zinc finger protein 0.0046 0.0175 0.0175
Brugia malayi Nuclear hormone receptor E75 0.0046 0.0175 0.0768
Loa Loa (eye worm) glutaminase 2 0.033 0.2273 1
Schistosoma mansoni nuclear receptor nhr-48 0.0046 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0898 0.3951
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0098 0.0558 0.2455
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0098 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0558 0.2455
Brugia malayi hypothetical protein 0.0046 0.0175 0.0768
Brugia malayi ecdysteroid receptor 0.0098 0.0558 0.2455
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0558 0.0558
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0052 0.0216 0.0216
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0098 0.0558 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0098 0.0558 0.2455
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0098 0.0558 0.0558
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Schistosoma mansoni nuclear receptor 0.0046 0.0175 0.0175
Brugia malayi Nuclear hormone receptor-like 1 0.0098 0.0558 0.2455
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0046 0.0175 0.0768
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0098 0.0558 0.0558
Echinococcus multilocularis nuclear receptor nhr 48 0.0046 0.0175 0.0181
Brugia malayi steroid hormone receptor 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Echinococcus granulosus Nuclear hormone receptor HR96 0.0046 0.0175 0.0175
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0098 0.0558 0.0558
Brugia malayi hypothetical protein 0.0052 0.0216 0.0948
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0098 0.0558 0.058
Brugia malayi nuclear receptor NHR-88 0.0046 0.0175 0.0768
Brugia malayi nuclear receptor NHR-88 0.0098 0.0558 0.2455
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0098 0.0558 0.2455
Schistosoma mansoni hypothetical protein 0.0205 0.1345 0.1345
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Schistosoma mansoni nuclear hormone receptor 0.0098 0.0558 0.0558
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0098 0.0558 0.2455
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0098 0.0558 0.2455
Echinococcus granulosus ecdysone induced protein 78C 0.0098 0.0558 0.0558
Brugia malayi nuclear hormone receptor family member odr-7 0.0046 0.0175 0.0768
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Schistosoma mansoni RAR-like nuclear receptor 0.0098 0.0558 0.0558
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0098 0.0558 0.0558
Brugia malayi nuclear hormone receptor family member nhr-6 0.0046 0.0175 0.0768
Loa Loa (eye worm) steroid hormone receptor 0.0098 0.0558 0.2455
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0098 0.0558 0.058
Brugia malayi glutaminase DH11.1 0.033 0.2273 1
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0175 0.0175
Brugia malayi nuclear receptor RXR 0.0052 0.0216 0.0948
Schistosoma mansoni coup transcription factor 0.0098 0.0558 0.0558
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0558 0.2455
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0046 0.0175 0.0175
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0098 0.0558 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Loa Loa (eye worm) glutaminase 0.033 0.2273 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0216 0.0948
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0046 0.0175 0.0175
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0046 0.0175 0.0181
Loa Loa (eye worm) hypothetical protein 0.0052 0.0216 0.0948
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Brugia malayi hypothetical protein 0.0046 0.0175 0.0768
Echinococcus multilocularis FTZ F1 alpha 0.0098 0.0558 0.058
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0216 0.0948
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0098 0.0558 0.058
Echinococcus granulosus thyroid hormone receptor alpha 0.0046 0.0175 0.0175
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0098 0.0558 0.058
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0052 0.0216 0.0216
Schistosoma mansoni thyroid hormone receptor 0.0098 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Echinococcus granulosus nuclear receptor nhr 48 0.0046 0.0175 0.0175
Schistosoma mansoni steroid hormone receptor ad4bp 0.0098 0.0558 0.0558
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0098 0.0558 0.2455
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0098 0.0558 0.2455
Echinococcus multilocularis thyroid hormone receptor alpha 0.0098 0.0558 0.058
Brugia malayi nuclear hormone receptor 0.0098 0.0558 0.2455
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0046 0.0175 0.0175
Schistosoma mansoni nuclear receptor 0.0046 0.0175 0.0175
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0098 0.0558 0.2455
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0052 0.0216 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0558 0.2455
Loa Loa (eye worm) nuclear hormone receptor 0.0046 0.0175 0.0768
Echinococcus granulosus FTZ F1 alpha 0.0098 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Loa Loa (eye worm) DR-78 0.0046 0.0175 0.0768
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Brugia malayi MH2 domain containing protein 0.0144 0.0898 0.3951
Schistosoma mansoni glutaminase 0.033 0.2273 0.2273
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Trichomonas vaginalis glutaminase, putative 0.033 0.2273 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0098 0.0558 0.2455
Brugia malayi Steroid receptor seven-up type 2 0.0098 0.0558 0.2455
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0098 0.0558 0.2455
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0098 0.0558 0.0558
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0098 0.0558 0.0558
Brugia malayi orphan nuclear receptor NR2E1 0.0046 0.0175 0.0768
Echinococcus multilocularis ecdysone induced protein 78C 0.0098 0.0558 0.058
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0098 0.0558 0.2455
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0046 0.0175 0.0768
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0098 0.0558 0.2455
Onchocerca volvulus Bile acid receptor homolog 0.0098 0.0558 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0175 0.0768
Schistosoma mansoni nuclear hormone receptor 0.0046 0.0175 0.0175
Onchocerca volvulus Protein ultraspiracle homolog 0.0098 0.0558 1
Brugia malayi nuclear hormone receptor 0.0046 0.0175 0.0768
Echinococcus granulosus geminin 0.0205 0.1345 0.1345
Brugia malayi photoreceptor-specific nuclear receptor 0.0098 0.0558 0.2455
Onchocerca volvulus 0.0098 0.0558 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0558 0.2455

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1032 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 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) 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
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

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.

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