Detailed information for compound 1453006

Basic information

Technical information
  • TDR Targets ID: 1453006
  • Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3,5- dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aceta te
  • MW: 379.427 | Formula: C18H21NO6S
  • H donors: 0 H acceptors: 3 LogP: 2.89 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)C(=O)COC(=O)CSCc1c(C)noc1C
  • InChi: 1S/C18H21NO6S/c1-11-14(12(2)25-19-11)9-26-10-18(21)24-8-15(20)13-5-6-16(22-3)17(7-13)23-4/h5-7H,8-10H2,1-4H3
  • InChiKey: FJONZUCALPATSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate
  • 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
  • 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester
  • [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate
  • MLS000057214
  • SMR000064822
  • T5347306
  • ZINC03452611

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii 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
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum trypanothione reductase 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium berghei thioredoxin reductase, putative 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Babesia bovis thiodoxin 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 thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana trypanothione reductase 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
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione 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
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Plasmodium falciparum glutathione 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
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis 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
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
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 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0244 0.0612
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0244 0.5024
Loa Loa (eye worm) hypothetical protein 0.0055 0.0183 0.0143
Mycobacterium tuberculosis Probable reductase 0.0104 0.0632 0.8342
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0244 0.5024
Echinococcus multilocularis segment polarity protein dishevelled 0.0055 0.0183 0.0428
Brugia malayi Isocitrate dehydrogenase 0.0084 0.0446 0.0446
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0632 0.8342
Loa Loa (eye worm) hypothetical protein 0.1113 0.9791 0.979
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0632 0.8342
Loa Loa (eye worm) RNA binding protein 0.0406 0.3374 0.3347
Onchocerca volvulus 0.0055 0.0183 0.0146
Brugia malayi latrophilin 2 splice variant baaae 0.0777 0.6737 0.6737
Loa Loa (eye worm) hypothetical protein 0.0055 0.0183 0.0143
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.036 0.2949 0.8726
Brugia malayi hypothetical protein 0.0054 0.0172 0.0172
Entamoeba histolytica hypothetical protein 0.0039 0.0041 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0039 0.0041 0.0026
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0084 0.0446 0.063
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0172 0.3246
Echinococcus granulosus segment polarity protein dishevelled 0.0055 0.0183 0.0428
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0055 0.0183 0.0428
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0244 0.4161
Toxoplasma gondii hypothetical protein 0.0055 0.0183 0.2394
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0446 1
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0244 0.0612
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0737 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0172 0.2074
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0244 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0055 0.0183 0.0428
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.036 0.2949 0.8726
Brugia malayi RasGEF domain containing protein 0.0039 0.0041 0.0041
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0244 0.0612
Brugia malayi regulator of G-protein signaling egl-10 0.0055 0.0183 0.0183
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0446 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0084 0.0446 1
Brugia malayi isocitrate dehydrogenase 0.0084 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0777 0.6737 0.6723
Echinococcus granulosus tar DNA binding protein 0.0406 0.3374 1
Loa Loa (eye worm) hypothetical protein 0.1137 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0084 0.0446 1
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0039 0.0041 0.0026
Loa Loa (eye worm) isocitrate dehydrogenase 0.0084 0.0446 0.0407
Loa Loa (eye worm) hypothetical protein 0.0055 0.0183 0.0143
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0446 0.1217
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0446 0.1217
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3374 0.4991
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0055 0.0183 0.0143
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Echinococcus multilocularis tar DNA binding protein 0.0406 0.3374 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0055 0.0183 0.0146
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0244 1
Brugia malayi Latrophilin receptor protein 2 0.036 0.2949 0.2949
Loa Loa (eye worm) latrophilin receptor protein 2 0.036 0.2949 0.2921
Toxoplasma gondii isocitrate dehydrogenase 0.0084 0.0446 1
Brugia malayi N-terminal motif family protein 0.0039 0.0041 0.0041
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0632 0.8342
Echinococcus granulosus segment polarity protein dishevelled 0.0055 0.0183 0.0428
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0172 0.2074
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0244 0.5024
Loa Loa (eye worm) TAR-binding protein 0.0406 0.3374 0.3347
Echinococcus granulosus regulator of G protein signaling 7 0.0055 0.0183 0.0428
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3374 0.4991
Brugia malayi RasGEF domain containing protein 0.0039 0.0041 0.0041
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0084 0.0446 0.1217
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0737 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0244 0.4161
Schistosoma mansoni hypothetical protein 0.0777 0.6737 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0244 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0055 0.0183 0.0428
Trypanosoma brucei protein kinase, putative 0.0062 0.0244 0.4161
Echinococcus granulosus Pleckstrin G protein interacting region 0.0055 0.0183 0.0428
Schistosoma mansoni hypothetical protein 0.036 0.2949 0.4359
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0055 0.0183 0.0238
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.036 0.2949 0.8726
Brugia malayi DIX domain containing protein 0.0055 0.0183 0.0183
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Schistosoma mansoni dishevelled 0.0055 0.0183 0.0238
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0101 0.006
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Loa Loa (eye worm) glutathione reductase 0.0046 0.0101 0.006
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0084 0.0446 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0244 0.4161
Echinococcus multilocularis isocitrate dehydrogenase 0.0084 0.0446 0.1217
Schistosoma mansoni regulator of G protein signaling 0.0055 0.0183 0.0238
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0172 0.2074
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0737 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0106 0.0197
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.036 0.2949 0.8726
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3374 0.4991
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0084 0.0446 0.1217
Schistosoma mansoni dep domain containing protein 0.0055 0.0183 0.0238
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0172 0.2074
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0106 0.0197
Brugia malayi RasGEF domain containing protein 0.0039 0.0041 0.0041
Brugia malayi hypothetical protein 0.0055 0.0183 0.0183
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0172 0.3246
Brugia malayi Calcitonin receptor-like protein seb-1 0.1137 1 1
Schistosoma mansoni dishevelled 0.0055 0.0183 0.0238
Brugia malayi TAR-binding protein 0.0406 0.3374 0.3374
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0737 1
Brugia malayi N-terminal motif family protein 0.0039 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.036 0.2949 0.4359
Echinococcus granulosus GPCR family 2 0.036 0.2949 0.8726
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0244 1
Brugia malayi hypothetical protein 0.0055 0.0183 0.0183
Brugia malayi RNA binding protein 0.0406 0.3374 0.3374
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.036 0.2949 0.2949
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3374 0.4991
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0039 0.0041 0.0026
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0039 0.0041 0.0026
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0244 0.0329
Brugia malayi N-terminal motif family protein 0.1113 0.9791 0.9791
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0244 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0084 0.0446 0.1217
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0084 0.0446 1
Schistosoma mansoni z-protein (S1r protein) 0.0055 0.0183 0.0238
Echinococcus multilocularis regulator of G protein signaling 7 0.0055 0.0183 0.0428
Loa Loa (eye worm) DIX domain-containing protein 0.0055 0.0183 0.0143
Schistosoma mansoni ras GTP exchange factor 0.0039 0.0041 0.0026
Schistosoma mansoni hypothetical protein 0.036 0.2949 0.4359
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0632 0.8342
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0406 0.3374 0.3347
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0172 0.2074
Loa Loa (eye worm) hypothetical protein 0.036 0.2949 0.2921
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.1113 0.9791 1
Schistosoma mansoni tar DNA-binding protein 0.0406 0.3374 0.4991
Schistosoma mansoni hypothetical protein 0.036 0.2949 0.4359
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0055 0.0183 0.0183
Brugia malayi MAP kinase sur-1 0.0062 0.0244 0.0244
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0446 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0172 0.0132
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0244 0.5024
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0244 0.4161
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0084 0.0446 0.5431
Echinococcus multilocularis GPCR, family 2 0.036 0.2949 0.8726
Leishmania major hypothetical protein, conserved 0.0054 0.0172 0.2074
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Brugia malayi Thioredoxin reductase 0.0046 0.0101 0.0101
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0101 0.1479
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0632 0.8342
Brugia malayi RNA recognition motif domain containing protein 0.0406 0.3374 0.3374
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0084 0.0446 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0055 0.0183 0.0428
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0055 0.0183 0.0183
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0244 0.0612
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0039 0.0041 0.5
Brugia malayi glutathione reductase 0.0046 0.0101 0.0101
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1137 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0244 0.0205

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0522 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) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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

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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