Detailed information for compound 435179

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.247 | Formula: C16H9NO4
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2
  • InChi: 1S/C16H9NO4/c18-10-6-5-9-7-11(16(19)21-14(9)8-10)15-17-12-3-1-2-4-13(12)20-15/h1-8,18H
  • InChiKey: IKLXGICISXJRPJ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0233 0.3321 0.3313
Entamoeba histolytica disulphide oxidoreductase, putative 0.0062 0.0719 0.4718
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1969 0.196
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0233 0.3321 0.3156
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Mycobacterium tuberculosis Probable oxidoreductase 0.0233 0.3321 0.2803
Trypanosoma brucei NADH dehydrogenase 0.0062 0.0719 0.049
Echinococcus multilocularis glutamate synthase 0.0062 0.0719 0.0709
Schistosoma mansoni glutamate synthase 0.0062 0.0719 0.0719
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0062 0.0719 0.0709
Plasmodium falciparum thioredoxin reductase 0.0673 1 1
Schistosoma mansoni z-protein (S1r protein) 0.0021 0.0105 0.0105
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0105 0.0094
Loa Loa (eye worm) hypothetical protein 0.0436 0.6402 0.6398
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0233 0.3321 0.3156
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0105 0.0094
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0233 0.3321 0.3156
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1512 0.1302
Trypanosoma cruzi NADH dehydrogenase, putative 0.0062 0.0719 0.0709
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0015 0.0011 0.0011
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0015 0.0011 0.0011
Treponema pallidum NADH oxidase 0.0233 0.3321 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0062 0.0719 0.0709
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0015 0.0011 0.0011
Schistosoma mansoni dep domain containing protein 0.0021 0.0105 0.0105
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0062 0.0719 0.049
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0105 0.0094
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0062 0.0719 0.4718
Brugia malayi glutamate synthase 0.0062 0.0719 0.0709
Giardia lamblia NADH oxidase lateral transfer candidate 0.0233 0.3321 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0233 0.3321 0.3156
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0062 0.0719 0.0709
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0021 0.0105 0.0094
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0233 0.3321 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0233 0.3321 0.2803
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0062 0.0719 0.049
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0719 0.0709
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0241 0.0138
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0171 0.2381 0.2372
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0233 0.3321 0.3156
Trichomonas vaginalis glutamate synthase, putative 0.0062 0.0719 0.2139
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0233 0.3321 0.3156
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0021 0.0105 0.0146
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0062 0.0719 0.049
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Echinococcus granulosus segment polarity protein dishevelled 0.0021 0.0105 0.0094
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0233 0.3321 0.3313
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0233 0.3321 0.3156
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0062 0.0719 0.0621
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0233 0.3321 1
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0062 0.0719 0.049
Echinococcus granulosus thioredoxin glutathione reductase 0.0673 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0233 0.3321 0.325
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0241 0.023
Echinococcus multilocularis segment polarity protein dishevelled 0.0021 0.0105 0.0094
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0171 0.2381 0.2372
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0062 0.0719 0.049
Leishmania major hypothetical protein, conserved 0.0062 0.0719 0.049
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0233 0.3321 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0021 0.0105 0.0094
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0233 0.3321 1
Toxoplasma gondii selenide, water dikinase 0.0062 0.0719 0.0621
Entamoeba histolytica thioredoxin reductase, putative 0.0062 0.0719 0.4718
Loa Loa (eye worm) DIX domain-containing protein 0.0021 0.0105 0.0094
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Trypanosoma cruzi trypanothione reductase, putative 0.0673 1 1
Plasmodium falciparum thioredoxin reductase 0.0233 0.3321 0.3156
Brugia malayi Thioredoxin reductase 0.0673 1 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0062 0.0719 0.0621
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0233 0.3321 0.3156
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0062 0.0719 0.049
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1512 0.1512
Echinococcus granulosus segment polarity protein dishevelled 0.0021 0.0105 0.0094
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0105 0.0094
Trichomonas vaginalis apoptosis inducing factor, putative 0.0062 0.0719 0.2139
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0021 0.0105 0.0094
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0233 0.3321 0.2803
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0062 0.0719 0.0709
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0062 0.0719 0.0709
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0062 0.0719 0.0709
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1512 0.1502
Loa Loa (eye worm) programmed cell death 8 0.0062 0.0719 0.0709
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1512 0.1502
Leishmania major NADH dehydrogenase, putative 0.0062 0.0719 0.049
Schistosoma mansoni glutamate synthase 0.0062 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0021 0.0105 0.0094
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0062 0.0719 0.4718
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0062 0.0719 0.0709
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1512 0.2348
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0062 0.0719 0.2139
Schistosoma mansoni hypothetical protein 0.0062 0.0719 0.0719
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0062 0.0719 0.0709
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0233 0.3321 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0233 0.3321 0.325
Trypanosoma brucei hypothetical protein, conserved 0.0062 0.0719 0.049
Schistosoma mansoni disulfide oxidoreductase 0.0062 0.0719 0.0719
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0233 0.3321 0.2803
Echinococcus granulosus Pleckstrin G protein interacting region 0.0021 0.0105 0.0094
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0062 0.0719 0.0709
Schistosoma mansoni sulfide quinone reductase 0.0062 0.0719 0.0719
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0062 0.0719 0.0709
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0233 0.3321 0.3313
Brugia malayi N-terminal motif family protein 0.0436 0.6402 0.6398
Onchocerca volvulus 0.0021 0.0105 0.0146
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0062 0.0719 0.0709
Toxoplasma gondii thioredoxin reductase 0.0673 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0105 0.0094
Trypanosoma cruzi NADH dehydrogenase, putative 0.0062 0.0719 0.0709
Brugia malayi hypothetical protein 0.002 0.0077 0.0066
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1969 0.196
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0062 0.0719 0.0709
Echinococcus multilocularis thioredoxin glutathione reductase 0.0673 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.1969 0.196
Trypanosoma brucei trypanothione reductase 0.0673 1 1
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0062 0.0719 0.0709
Onchocerca volvulus 0.0062 0.0719 0.1108
Schistosoma mansoni glutamate synthase 0.0062 0.0719 0.0719
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3156
Plasmodium falciparum glutathione reductase 0.0673 1 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0233 0.3321 0.3313
Trypanosoma cruzi trypanothione reductase, putative 0.0233 0.3321 0.3313
Schistosoma mansoni sulfide quinone reductase 0.0062 0.0719 0.0719
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0062 0.0719 0.2139
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0233 0.3321 0.3313
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0233 0.3321 0.3156
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0062 0.0719 0.2139
Giardia lamblia Kinase, PLK 0.0114 0.1512 0.3046
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0021 0.0105 0.0105
Plasmodium falciparum glutathione reductase 0.0233 0.3321 0.3156
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0062 0.0719 0.0709
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0062 0.0719 0.049
Loa Loa (eye worm) hypothetical protein 0.0021 0.0105 0.0094
Plasmodium falciparum ferrodoxin reductase-like protein 0.0062 0.0719 0.049
Trypanosoma brucei polo-like protein kinase 0.0114 0.1512 0.1302
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0062 0.0719 0.2139
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0062 0.0719 0.0621
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0436 0.6402 1
Brugia malayi DIX domain containing protein 0.0021 0.0105 0.0094
Leishmania major hypothetical protein, conserved 0.0062 0.0719 0.049
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0673 1 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0021 0.0105 0.0094
Brugia malayi hypothetical protein 0.0021 0.0105 0.0094
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1512 1
Leishmania major hypothetical protein, conserved 0.0062 0.0719 0.049
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0062 0.0719 0.0709
Plasmodium vivax glutathione reductase, putative 0.0673 1 1
Schistosoma mansoni ras GTP exchange factor 0.0015 0.0011 0.0011
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0021 0.0105 0.0094
Loa Loa (eye worm) glutathione reductase 0.0673 1 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0719 0.0709
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0062 0.0719 0.049
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0062 0.0719 0.4718
Plasmodium vivax ferrodoxin reductase, putative 0.0062 0.0719 0.049
Schistosoma mansoni kinase 0.0058 0.066 0.066
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0062 0.0719 0.0621
Plasmodium vivax thioredoxin reductase, putative 0.0673 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1512 0.1502
Schistosoma mansoni dishevelled 0.0021 0.0105 0.0105
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0105 0.0105
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0062 0.0719 0.049
Trichomonas vaginalis glutathione reductase, putative 0.0233 0.3321 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0233 0.3321 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0233 0.3321 0.3321
Brugia malayi hypothetical protein 0.003 0.0241 0.023
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0233 0.3321 0.3156
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0062 0.0719 0.4718
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0015 0.0011 0.0011
Schistosoma mansoni dishevelled 0.0021 0.0105 0.0105
Echinococcus granulosus glutamate synthase 0.0062 0.0719 0.0709
Trichomonas vaginalis mercuric reductase, putative 0.0233 0.3321 1
Brugia malayi hypothetical protein 0.0021 0.0105 0.0094
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0062 0.0719 0.0709
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0062 0.0719 0.2139
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0062 0.0719 0.0621
Trypanosoma cruzi hypothetical protein, conserved 0.0062 0.0719 0.0709
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1512 0.1502
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0062 0.0719 0.0709
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0062 0.0719 0.0709
Loa Loa (eye worm) thioredoxin reductase 0.0673 1 1
Brugia malayi regulator of G-protein signaling egl-10 0.0021 0.0105 0.0094
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0637 0.189
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0062 0.0719 0.0709
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3156
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0062 0.0719 0.0709
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0233 0.3321 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1512 0.1502
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1512 0.1502
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0233 0.3321 0.3313
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1512 0.4533
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0241 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0637 0.189
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0062 0.0719 0.049
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0062 0.0719 0.0709
Leishmania major trypanothione reductase 0.0673 1 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0062 0.0719 0.4718
Trichomonas vaginalis glutamate synthase, putative 0.0062 0.0719 0.2139
Loa Loa (eye worm) hypothetical protein 0.003 0.0241 0.023

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.709 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.624 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.574 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.571 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.491 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.487 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.478 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.389 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.304 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.235 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6213 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 12.5893 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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