Detailed information for compound 1388010

Basic information

Technical information
  • TDR Targets ID: 1388010
  • Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-me thylphenyl)-4-oxoquinazolin-2-yl]sulfanylacet amide
  • MW: 457.566 | Formula: C22H23N3O4S2
  • H donors: 0 H acceptors: 4 LogP: 2.84 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2c(=O)n1c1ccccc1C
  • InChi: 1S/C22H23N3O4S2/c1-15-7-3-6-10-19(15)25-21(27)17-8-4-5-9-18(17)23-22(25)30-13-20(26)24(2)16-11-12-31(28,29)14-16/h3-10,16H,11-14H2,1-2H3
  • InChiKey: IVMHJBQLWNUGNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-methylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide
  • N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide
  • N-(1,1-diketothiolan-3-yl)-2-[[4-keto-3-(2-methylphenyl)quinazolin-2-yl]thio]-N-methyl-acetamide
  • N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-methylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-ethanamide
  • T5257964
  • MLS001010666
  • SMR000352851

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Schistosoma mansoni ap endonuclease 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 cruzi apurinic/apyrimidinic endonuclease 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_128068 All targets in OG5_128068
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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 gambiense apurinic/apyrimidinic endonuclease, 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Cryptosporidium parvum conserved hypothetical protein 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis acetylornithine aminotransferase, putative Get druggable targets OG5_128068 All targets in OG5_128068
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA Get druggable targets OG5_128068 All targets in OG5_128068
Brugia malayi exodeoxyribonuclease III family protein 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
Mycobacterium tuberculosis Probable aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Candida albicans adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria Get druggable targets OG5_128068 All targets in OG5_128068
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase Get druggable targets OG5_128068 All targets in OG5_128068
Trichomonas vaginalis ap endonuclease, putative 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 437 aa 397 aa 28.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RE15519p 0.0033 0.0074 0.0074
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.3899 0.5
Onchocerca volvulus 0.0033 0.0074 0.5
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Echinococcus multilocularis serotonin receptor 0.0173 0.3638 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0389 0.0883
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.3899 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0389 0.0883
Loa Loa (eye worm) hypothetical protein 0.0173 0.3638 0.3638
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0033 0.0074 0.0074
Brugia malayi Serotonin receptor 0.0033 0.0074 0.0074
Mycobacterium ulcerans hypothetical protein 0.0184 0.3899 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0033 0.0074 0.0074
Brugia malayi putative neuropeptide receptor 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi ORL1-like opioid receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi GnHR receptor homolog 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0423 1 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.3899 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Dopamine receptor protein 1 0.0033 0.0074 0.0074
Brugia malayi G-protein coupled receptor 0.0033 0.0074 0.0074
Brugia malayi sulfakinin receptor protein 0.0033 0.0074 0.0074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0389 0.0883
Onchocerca volvulus 0.0033 0.0074 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0423 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Melatonin receptor type 1A 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Brugia malayi Serotonin receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi neuropeptide F receptor 0.0033 0.0074 0.0074
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0033 0.0074 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0033 0.0074 0.0074
Loa Loa (eye worm) melatonin receptor type 1A 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Schistosoma mansoni biogenic amine (5HT) receptor 0.0173 0.3638 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0033 0.0074 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0389 0.0883
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0389 0.0883
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi neuropeptide F receptor 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.006 0.0758 0.0758
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.0074 0.0074
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0389 0.0389
Schistosoma mansoni hypothetical protein 0.0041 0.0273 0.0557
Brugia malayi larval opioid receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0423 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0033 0.0074 0.0074
Brugia malayi follicle stimulating hormone receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0041 0.0273 0.0273
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0389 0.0883
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0758 0.0758
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi G protein-coupled receptor F59B2.13 0.0033 0.0074 0.0074
Brugia malayi Dopamine receptor protein 2 0.0033 0.0074 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Dopamine receptor 0.0033 0.0074 0.0074
Brugia malayi G-protein coupled receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0758 0.0758
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.3899 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0423 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0389 0.0883
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.3899 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0273 0.0273
Loa Loa (eye worm) TYRA-2 protein 0.0033 0.0074 0.0074
Brugia malayi AKH receptor 0.0033 0.0074 0.0074
Brugia malayi putative neuropeptide receptor NPR1 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Echinococcus multilocularis serotonin receptor 0.0173 0.3638 1
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0389 0.0389
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0033 0.0074 0.0074
Brugia malayi hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.0074 0.0074
Brugia malayi G protein-coupled receptor 0.0033 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0173 0.3638 0.3638
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.4732 0.4732
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Onchocerca volvulus 0.0033 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0074 0.0074
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0173 0.3638 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 2.39 uM PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.3714 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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: 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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