Detailed information for compound 1571848

Basic information

Technical information
  • TDR Targets ID: 1571848
  • Name: N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenylp yrido[3,2-b][1,4]oxazin-4-yl)butanamide
  • MW: 419.448 | Formula: C24H22FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.22 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc(cc1)F)CCCN1C(=O)C(Oc2c1nccc2)c1ccccc1
  • InChi: 1S/C24H22FN3O3/c25-19-12-10-17(11-13-19)16-27-21(29)9-5-15-28-23-20(8-4-14-26-23)31-22(24(28)30)18-6-2-1-3-7-18/h1-4,6-8,10-14,22H,5,9,15-16H2,(H,27,29)
  • InChiKey: UJZPANYMNAYADK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenyl-pyrido[3,2-b][1,4]oxazin-4-yl)butanamide
  • N-[(4-fluorophenyl)methyl]-4-(3-oxo-2-phenyl-4-pyrido[3,2-b][1,4]oxazinyl)butanamide
  • N-(4-fluorobenzyl)-4-(3-keto-2-phenyl-pyrido[3,2-b][1,4]oxazin-4-yl)butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic 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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva 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) exodeoxyribonuclease III family 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
Plasmodium yoelii putative AP endonuclease-related 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
Plasmodium knowlesi thioredoxin 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Neospora caninum 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania braziliensis trypanothione reductase 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative 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
Echinococcus multilocularis thioredoxin glutathione 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
Schistosoma mansoni ap endonuclease 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Theileria parva thioredoxin reductase, putative 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 hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0118 0.4191 0.4191
Brugia malayi hypothetical protein 0.0133 0.4813 0.4813
Brugia malayi nuclear receptor NHR-67 0.0118 0.4191 0.4191
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0251 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0251 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.535 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0118 0.4191 0.4191
Brugia malayi conserved hypotetical protein 0.0118 0.4191 0.4191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0251 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0251 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4713 0.8809
Brugia malayi Thioredoxin reductase 0.0057 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.4813 0.4813
Echinococcus multilocularis ecdysone induced protein 78C 0.0251 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0118 0.4191 0.4191
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0118 0.4191 0.4191
Loa Loa (eye worm) DR-78 0.0118 0.4191 0.4191
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.535 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Schistosoma mansoni nuclear receptor 0.0118 0.4191 0.4191
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0251 1 1
Brugia malayi ecdysone receptor 0.0118 0.4191 0.4191
Toxoplasma gondii thioredoxin reductase 0.0057 0.1507 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1507 0.2817
Echinococcus granulosus ecdysone induced protein 78C 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0133 0.4813 0.4813
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0251 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0251 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0251 1 1
Brugia malayi nuclear hormone receptor 0.0251 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0251 1 1
Brugia malayi nuclear receptor RXR 0.0133 0.4813 0.4813
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.535 1
Mycobacterium tuberculosis Probable reductase 0.013 0.4713 0.8809
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0251 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0251 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4713 0.8809
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0251 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0251 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.7973 0.7973
Brugia malayi nuclear receptor NHR-88 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0133 0.4813 0.4813
Brugia malayi nuclear hormone receptor family member odr-7 0.0118 0.4191 0.4191
Schistosoma mansoni thyroid hormone receptor 0.0251 1 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.1507 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0118 0.4191 0.4191
Schistosoma mansoni thyroid hormone receptor 0.0251 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0251 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1507 1
Loa Loa (eye worm) nuclear hormone receptor 0.0118 0.4191 0.4191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0251 1 1
Leishmania major trypanothione reductase 0.0057 0.1507 1
Schistosoma mansoni retinoic acid receptor RXR 0.0251 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0251 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1507 0.1507
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0251 1 1
Brugia malayi hypothetical protein 0.0133 0.4813 0.4813
Brugia malayi Nuclear hormone receptor-like 1 0.0133 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Brugia malayi Nuclear hormone receptor E75 0.0118 0.4191 0.4191
Brugia malayi photoreceptor-specific nuclear receptor 0.0251 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0251 1 1
Brugia malayi hypothetical protein 0.0118 0.4191 0.4191
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4713 0.8809
Schistosoma mansoni nuclear hormone receptor 0.0251 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0251 1 1
Schistosoma mansoni coup transcription factor 0.0251 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1507 1
Brugia malayi hypothetical protein 0.0118 0.4191 0.4191
Onchocerca volvulus Bile acid receptor homolog 0.0251 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0133 0.4813 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0251 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0251 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0251 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0118 0.4191 0.4191
Brugia malayi Steroid receptor seven-up type 2 0.0251 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0118 0.4191 0.4191
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0118 0.4191 0.4191
Brugia malayi nuclear hormone receptor 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Echinococcus granulosus thyroid hormone receptor alpha 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0251 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0118 0.4191 0.4191
Trypanosoma brucei trypanothione reductase 0.0057 0.1507 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Schistosoma mansoni RAR-like nuclear receptor 0.0251 1 1
Schistosoma mansoni nuclear hormone receptor 0.0118 0.4191 0.4191
Schistosoma mansoni zinc finger protein 0.0118 0.4191 0.4191
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0118 0.4191 0.4191
Schistosoma mansoni hypothetical protein 0.0205 0.7973 0.7973
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0251 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Schistosoma mansoni nuclear hormone receptor 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0118 0.4191 0.4191
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.4813 0.4813
Echinococcus granulosus geminin 0.0205 0.7973 0.7973
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0251 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4713 0.8809
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0251 1 1
Schistosoma mansoni nuclear receptor 0.0118 0.4191 0.4191
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0251 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0251 1 1
Plasmodium falciparum glutathione reductase 0.0057 0.1507 1
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0332 0.0332
Schistosoma mansoni steroid hormone receptor ad4bp 0.0251 1 1
Brugia malayi glutathione reductase 0.0057 0.1507 0.1507
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0133 0.4813 0.4813
Brugia malayi nuclear receptor NHR-88 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.4813 0.4813
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0251 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0118 0.4191 0.4191
Brugia malayi tailless protein 0.0118 0.4191 0.4191
Brugia malayi nuclear receptor RXR 0.0118 0.4191 0.4191
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Brugia malayi orphan nuclear receptor NR2E1 0.0118 0.4191 0.4191
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0251 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0118 0.4191 0.4191
Loa Loa (eye worm) glutathione reductase 0.0057 0.1507 0.1507
Loa Loa (eye worm) hypothetical protein 0.0251 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0251 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0251 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0251 1 1
Onchocerca volvulus 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.4813 0.4813
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1507 0.1507
Echinococcus granulosus Nuclear hormone receptor HR96 0.0118 0.4191 0.4191
Echinococcus multilocularis thyroid hormone receptor alpha 0.0251 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0133 0.4813 0.4813
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4713 0.8809
Brugia malayi Cytochrome P450 family protein 0.003 0.0332 0.0332
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0251 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0118 0.4191 0.4191
Brugia malayi steroid hormone receptor 0.0251 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0251 1 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4191 0.4191
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0133 0.4813 0.4813
Echinococcus granulosus FTZ F1 alpha 0.0251 1 1
Echinococcus multilocularis geminin 0.0205 0.7973 0.7973
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0251 1 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.1507 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0251 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0251 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0251 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.535 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1507 0.1507
Brugia malayi Nuclear hormone receptor E75 0.0118 0.4191 0.4191

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 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) 0.2119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4467 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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) 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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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