Detailed information for compound 1457003

Basic information

Technical information
  • TDR Targets ID: 1457003
  • Name: 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulf onylamino]-4-methylpentanoic acid
  • MW: 355.366 | Formula: C14H17N3O6S
  • H donors: 4 H acceptors: 8 LogP: 1.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(C(=O)O)NS(=O)(=O)c1ccc2c(c1)nc(c(n2)O)O)C
  • InChi: 1S/C14H17N3O6S/c1-7(2)5-11(14(20)21)17-24(22,23)8-3-4-9-10(6-8)16-13(19)12(18)15-9/h3-4,6-7,11,17H,5H2,1-2H3,(H,15,18)(H,16,19)(H,20,21)
  • InChiKey: NXESQNUJANVCGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methyl-pentanoic acid
  • 2-[(2,3-diketo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methyl-valeric acid
  • AK-918/42486733
  • A3572/0151585
  • ChemDiv3_006933
  • N-[(2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinyl)sulfonyl]leucine
  • SMR000300088
  • MLS000690536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum conserved hypothetical 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Echinococcus multilocularis thioredoxin glutathione reductase 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii exonuclease III APE 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum exodeoxyribonuclease (exoA) 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
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase 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
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
Theileria parva 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione 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
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
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 yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0335 0.0304
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0335 0.0304
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0335 0.0304
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0462 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.1419 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0335 0.0335
Schistosoma mansoni nuclear hormone receptor 0.002 0.0335 0.0294
Schistosoma mansoni thyroid hormone receptor 0.0142 0.5438 0.9681
Trypanosoma brucei trypanothione reductase 0.0046 0.1419 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0335 0.0335
Schistosoma mansoni thyroid hormone receptor 0.0142 0.5438 0.9681
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0462 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.9567 0.995
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0462 0.0688
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1419 0.1168
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0335 0.0304
Echinococcus granulosus FTZ F1 alpha 0.002 0.0335 0.0359
Schistosoma mansoni coup transcription factor 0.002 0.0335 0.0294
Onchocerca volvulus 0.002 0.0335 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0462 0.2305
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0335 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0335 0.0335
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0335 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0335 0.0335
Brugia malayi nuclear receptor NHR-88 0.002 0.0335 0.0335
Toxoplasma gondii exonuclease III APE 0.0023 0.0462 0.2305
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1419 1
Mycobacterium tuberculosis Probable reductase 0.0104 0.3857 0.8837
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0462 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0335 0.0294
Brugia malayi nuclear hormone receptor 0.002 0.0335 0.0335
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0242 0.9614 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0175 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1419 0.2985
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0335 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0335 0.0335
Schistosoma mansoni ap endonuclease 0.0023 0.0462 0.0527
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0462 0.2305
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0335 0.0294
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0335 0.0335
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0335 0.0304
Brugia malayi steroid hormone receptor 0.002 0.0335 0.0335
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0335 0.0294
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3857 0.8837
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1444 0.2412
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0462 0.2305
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0335 0.0294
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0335 0.0294
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0335 0.0335
Loa Loa (eye worm) glutathione reductase 0.0046 0.1419 0.1168
Brugia malayi ecdysteroid receptor 0.002 0.0335 0.0335
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.4342 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0335 0.0359
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.4342 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0462 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0335 0.0359
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0335 0.0304
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0175 0.0175
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0335 0.0335
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0462 0.2305
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0462 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0335 0.0335
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0335 0.0335
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0462 0.0645
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.5523 0.5591
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0335 0.0359
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.4342 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0462 0.2305
Brugia malayi Nuclear hormone receptor-like 1 0.0242 0.9614 0.9614
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1444 0.2857
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.4619 0.8443
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3857 0.8837
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0335 0.0294
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.5523 0.5591
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0335 0.0359
Toxoplasma gondii thioredoxin reductase 0.0046 0.1419 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0462 0.0462
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3857 0.8837
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0335 0.0359
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0335 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0242 0.9614 0.9614
Echinococcus multilocularis thyroid hormone receptor alpha 0.0142 0.5438 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0335 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0335 0.0304
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0335 0.0335
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0335 0.0294
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0462 0.0545
Plasmodium falciparum thioredoxin reductase 0.0046 0.1419 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0335 0.0359
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.4342 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.4619 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0462 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0335 0.0294
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3857 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0335 0.0335
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0462 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1419 1
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0335 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0335 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0335 0.0335
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0462 0.2305
Schistosoma mansoni ap endonuclease 0.0023 0.0462 0.0527
Brugia malayi glutathione reductase 0.0046 0.1419 0.1419
Brugia malayi Thioredoxin reductase 0.0046 0.1419 0.1419
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0335 0.0335
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0335 0.0294
Brugia malayi MH2 domain containing protein 0.0144 0.5523 0.5523
Leishmania major trypanothione reductase 0.0046 0.1419 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3857 0.8837
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0462 0.0137
Schistosoma mansoni hypothetical protein 0.0122 0.4619 0.8174
Plasmodium falciparum glutathione reductase 0.0046 0.1419 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 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) 5.6234 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) = 15.8489 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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