Detailed information for compound 1310777

Basic information

Technical information
  • TDR Targets ID: 1310777
  • Name: N-[2-(3,4-dihydroxyphenyl)ethyl]-2,3-dihydro- 1,4-benzodioxine-2-carboxamide
  • MW: 315.321 | Formula: C17H17NO5
  • H donors: 3 H acceptors: 3 LogP: 2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1COc2c(O1)cccc2)NCCc1ccc(c(c1)O)O
  • InChi: 1S/C17H17NO5/c19-12-6-5-11(9-13(12)20)7-8-18-17(21)16-10-22-14-3-1-2-4-15(14)23-16/h1-6,9,16,19-20H,7-8,10H2,(H,18,21)
  • InChiKey: MEHVAMOHHSLLEP-UHFFFAOYSA-N  


Substructure search Similarity search

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Plasmodium falciparum M18 aspartyl aminopeptidase Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium tuberculosis Probable aminopeptidase PepC Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania donovani aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Neospora caninum MGC84926 protein, related 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 yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis 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
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus granulosus aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania infantum aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium falciparum M18 aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis 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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma congolense aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K01267 aspartyl aminopeptidase [EC3.4.11.21], putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium parvum possible aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium vivax M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania mexicana aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Theileria parva aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
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 falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax SET domain protein, putative 0.0036 0.0899 0.3276
Echinococcus granulosus aspartyl aminopeptidase 0.0087 0.2743 0.7248
Brugia malayi N-terminal motif family protein 0.0218 0.7523 0.8611
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.137 0.362
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0868 0.6948
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.1138 0.1302
Entamoeba histolytica aminopeptidase, putative 0.0087 0.2743 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0899 0.7193
Loa Loa (eye worm) glutathione reductase 0.0046 0.1249 0.143
Loa Loa (eye worm) hypothetical protein 0.006 0.1784 0.2042
Brugia malayi Pre-SET motif family protein 0.0251 0.8736 1
Brugia malayi Aspartyl aminopeptidase 0.0087 0.2743 0.314
Loa Loa (eye worm) aspartyl aminopeptidase 0.0087 0.2743 0.314
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0899 0.1829
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.1138 0.3006
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.7523 0.7287
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3803 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8736 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0163 0.0593
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.001 0.0011
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0868 0.3165
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3803 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0163 0.0593
Plasmodium falciparum thioredoxin reductase 0.0016 0.0163 0.0593
Mycobacterium tuberculosis Probable reductase 0.0104 0.338 0.8837
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.2743 0.5584
Toxoplasma gondii thioredoxin reductase 0.0046 0.1249 1
Giardia lamblia PHD finger protein 15 0.0035 0.0868 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0163 0.0593
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0163 0.043
Brugia malayi PHD-finger family protein 0.0012 0.0005 0.0006
Onchocerca volvulus 0.0036 0.0899 0.0034
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.338 0.8837
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1066 0.0918
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1249 0.4555
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0163 0.0593
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3803 1
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2743 0.2623
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.338 0.8837
Schistosoma mansoni hypothetical protein 0.0043 0.1168 0.2378
Echinococcus granulosus jumonji domain containing protein 0.0049 0.137 0.362
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.338 0.8837
Brugia malayi AF-10 protein 0.0012 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0087 0.2743 0.314
Plasmodium vivax glutathione reductase, putative 0.0046 0.1249 0.4555
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1168 0.2378
Loa Loa (eye worm) hypothetical protein 0.0012 0.0005 0.0006
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1249 0.4555
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2921 0.5947
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0087 0.2743 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2743 0.314
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0163 0.5
Echinococcus multilocularis aspartyl aminopeptidase 0.0087 0.2743 0.7248
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1138 0.2316
Loa Loa (eye worm) hypothetical protein 0.0218 0.7523 0.8611
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0163 0.0186
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0163 0.0593
Treponema pallidum NADH oxidase 0.0016 0.0163 0.5
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.001 0.0011
Brugia malayi hypothetical protein 0.0043 0.1168 0.1337
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Leishmania major trypanothione reductase 0.0046 0.1249 0.4555
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.1138 0.3006
Brugia malayi glutathione reductase 0.0046 0.1249 0.143
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0163 0.0593
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1168 0.3086
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1066 0.0918
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0163 0.043
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0163 0.0593
Schistosoma mansoni hypothetical protein 0.0035 0.0868 0.1767
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0087 0.2743 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0163 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0899 0.1029
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0163 0.0593
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2743 0.2623
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2233 0.2556
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1066 0.0918
Brugia malayi PHD-finger family protein 0.0035 0.0868 0.0994
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0899 0.1829
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.2743 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0163 0.1301
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.1138 0.2316
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.1066 0.0918
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0163 0.5
Echinococcus granulosus peregrin 0.0035 0.0868 0.2294
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0005 0.0019
Trypanosoma brucei trypanothione reductase 0.0046 0.1249 0.4555
Brugia malayi jmjC domain containing protein 0.0043 0.1138 0.1302
Plasmodium falciparum glutathione reductase 0.0046 0.1249 0.4555
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0163 0.0593
Plasmodium falciparum glutathione reductase 0.0016 0.0163 0.0593
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.338 0.8837
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2743 0.2623
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0163 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0868 0.2294
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3803 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.338 0.8837
Echinococcus multilocularis peregrin 0.0035 0.0868 0.2294
Plasmodium falciparum thioredoxin reductase 0.0046 0.1249 0.4555
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0013 0.0053 0.0109
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0163 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.085 0.2247
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0005 0.0042
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0087 0.2743 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0899 0.2375
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1272 0.336
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1168 0.3086
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1249 0.2985
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0087 0.2743 1
Trichomonas vaginalis hypothetical protein 0.0041 0.1066 0.0918
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0163 0.0331
Brugia malayi Bromodomain containing protein 0.0035 0.0868 0.0994
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0005 0.0019
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0899 0.2375
Plasmodium falciparum phd finger protein, putative 0.0035 0.0868 0.3165
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0163 0.5
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0005 0.0019
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0163 0.0593
Brugia malayi jmjC domain containing protein 0.0115 0.3784 0.4332
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0163 0.0593
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0868 0.1767
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0087 0.2743 0.7087
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0163 0.1301
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0163 0.0593
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0005 0.0042
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1066 0.0918
Schistosoma mansoni hypothetical protein 0.0012 0.0005 0.0011
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.2743 0.5584
Brugia malayi Thioredoxin reductase 0.0046 0.1249 0.143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0899 0.1829
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0899 0.2375
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3784 1
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0087 0.2743 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0868 0.2294
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0163 0.0593
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0087 0.2743 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0868 0.0994
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.338 0.6008
Loa Loa (eye worm) hypothetical protein 0.0035 0.0868 0.0994
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.2743 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0899 0.1029
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3784 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0868 0.6948
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0899 0.1829
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1249 0.143
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0163 0.0593
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0.0053 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1066 0.0918
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1272 0.336
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0005 0.0019

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 28.52 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
IC50 (binding) = 2.11 um PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 2178 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
Potency (functional) 1.4515 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Potentiators of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 2.2695 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds that Act as Agonists of the Vanilloid Receptor 1: Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) 8.9125 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) 13.1154 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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) 28.1838 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 35.4813 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
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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