Detailed information for compound 1278688

Basic information

Technical information
  • TDR Targets ID: 1278688
  • Name: 4-methoxy-N-[4-(quinoxalin-2-ylsulfamoyl)phen yl]benzamide
  • MW: 434.468 | Formula: C22H18N4O4S
  • H donors: 2 H acceptors: 5 LogP: 2.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2
  • InChi: 1S/C22H18N4O4S/c1-30-17-10-6-15(7-11-17)22(27)24-16-8-12-18(13-9-16)31(28,29)26-21-14-23-19-4-2-3-5-20(19)25-21/h2-14H,1H3,(H,24,27)(H,25,26)
  • InChiKey: YAGRZJNHVFSXSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-methoxy-N-[4-(2-quinoxalinylsulfamoyl)phenyl]benzamide
  • 4-methoxy-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}benzamide
  • MLS001164497
  • SMR000497476
  • ZINC02818777
  • IVK/8180315

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0021 0.0226 0.0265
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0628 0.0583
Loa Loa (eye worm) hypothetical protein 0.0021 0.0226 0.0179
Entamoeba histolytica hypothetical protein 0.0043 0.0591 0.5
Brugia malayi Thioredoxin reductase 0.0046 0.0628 0.0585
Onchocerca volvulus Matrilysin homolog 0.0021 0.0226 0.2615
Brugia malayi Matrixin family protein 0.0021 0.0226 0.0181
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0072 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0072 0.0074
Loa Loa (eye worm) matrixin family protein 0.0052 0.0731 0.0686
Mycobacterium ulcerans hydrolase 0.0026 0.0303 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0072 0.0074
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0132 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0072 0.0027
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0048 0.0044
Mycobacterium tuberculosis Probable reductase 0.0104 0.1599 0.8837
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0072 0.0027
Brugia malayi Matrixin family protein 0.0021 0.0226 0.0181
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0072 0.0074
Plasmodium falciparum thioredoxin reductase 0.0046 0.0628 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0638 0.0776
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.096 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0072 0.0074
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0072 0.0074
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0072 0.0074
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Schistosoma mansoni hypothetical protein 0.0043 0.0591 0.0718
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0072 0.0074
Plasmodium vivax glutathione reductase, putative 0.0046 0.0628 1
Echinococcus granulosus cpg binding protein 0.0037 0.0478 0.0578
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0072 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0072 0.0074
Brugia malayi CXXC zinc finger family protein 0.0035 0.0445 0.0402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0072 0.0025
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1792 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0078 0.1164 0.143
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0132 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0628 0.2985
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0072 0.0027
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0072 0.0025
Onchocerca volvulus Matrix metalloproteinase homolog 0.0048 0.0659 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0072 0.0074
Onchocerca volvulus 0.003 0.0375 0.5149
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0072 0.0074
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0072 0.0027
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0072 0.0074
Schistosoma mansoni coup transcription factor 0.0012 0.0072 0.0074
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0591 0.0718
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0611 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0072 0.0027
Brugia malayi Matrixin family protein 0.0021 0.0226 0.0181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0072 0.0074
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0072 0.0074
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1599 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0072 0.0027
Entamoeba histolytica hypothetical protein 0.0043 0.0591 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1792 1
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.8066 1
Entamoeba histolytica hypothetical protein 0.0043 0.0591 0.5
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0048 0.0044
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1792 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0628 1
Leishmania major trypanothione reductase 0.0046 0.0628 1
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0072 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0072 0.0027
Schistosoma mansoni hypothetical protein 0.003 0.0375 0.0449
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.109 0.1338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0072 0.0025
Loa Loa (eye worm) matrix metalloproteinase 0.0021 0.0226 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0072 0.0027
Brugia malayi Matrixin family protein 0.0052 0.0731 0.0688
Brugia malayi ecdysteroid receptor 0.0012 0.0072 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Loa Loa (eye worm) matrixin family protein 0.0048 0.0659 0.0615
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0072 0.0074
Trypanosoma brucei trypanothione reductase 0.0046 0.0628 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0591 0.0718
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0072 0.0025
Brugia malayi Hemopexin family protein 0.003 0.0375 0.0331
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1599 0.8837
Schistosoma mansoni hypothetical protein 0.0494 0.8066 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0628 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0638 0.0776
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0072 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0072 0.0074
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0298 0.481 1
Treponema pallidum NADH oxidase 0.0016 0.0132 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0072 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0072 0.0025
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0072 0.0074
Brugia malayi nuclear hormone receptor 0.0012 0.0072 0.0027
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0026 0.0303 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0072 0.0025
Loa Loa (eye worm) glutathione reductase 0.0046 0.0628 0.0583
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0072 0.0027
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0072 0.0074
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0072 0.0074
Brugia malayi steroid hormone receptor 0.0012 0.0072 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1599 0.8837
Toxoplasma gondii thioredoxin reductase 0.0046 0.0628 0.5985
Entamoeba histolytica hypothetical protein 0.0043 0.0591 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0072 0.0027
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0445 0.0399
Schistosoma mansoni polycystin 1-related 0.0026 0.0304 0.0362
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0072 0.0074
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0026 0.0303 0.1031
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0072 0.0027
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0072 0.0074
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0132 0.0087
Brugia malayi hypothetical protein 0.0043 0.0591 0.0548
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1792 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0132 0.0149
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0132 0.0149
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0072 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1599 0.8837
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0072 0.0027
Echinococcus multilocularis cpg binding protein 0.0037 0.0478 0.0578
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0132 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0226 0.0179
Brugia malayi Matrixin family protein 0.0021 0.0226 0.0181
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0063 0.0017
Plasmodium falciparum glutathione reductase 0.0046 0.0628 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1599 0.8704
Schistosoma mansoni cpg binding protein 0.0037 0.0478 0.0578
Schistosoma mansoni cpg binding protein 0.0037 0.0478 0.0578
Brugia malayi nuclear receptor NHR-88 0.0012 0.0072 0.0027
Onchocerca volvulus Matrilysin homolog 0.0048 0.0659 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0132 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.8066 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0072 0.0025
Onchocerca volvulus 0.0021 0.0226 0.2615
Loa Loa (eye worm) hypothetical protein 0.0021 0.0226 0.0179
Brugia malayi glutathione reductase 0.0046 0.0628 0.0585
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0072 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0072 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.0072 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0072 0.0027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0072 0.0074
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0072 0.0027
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0072 0.0074
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0132 0.0149
Loa Loa (eye worm) hypothetical protein 0.0026 0.0303 0.0257
Schistosoma mansoni cpg binding protein 0.0035 0.0445 0.0537
Onchocerca volvulus 0.0035 0.0445 0.6351
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0072 0.0027
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0078 0.1164 0.143
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0063 0.0017
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0591 0.0718
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0072 0.0025
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1599 0.8837
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0072 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.3115 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 14.581 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) = 15.8489 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) 18.526 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) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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.