Detailed information for compound 1306232

Basic information

Technical information
  • TDR Targets ID: 1306232
  • Name: 8-bromo-1-(2-hydroxypropyl)-3-methyl-7-(pheny lmethyl)purine-2,6-dione
  • MW: 393.235 | Formula: C16H17BrN4O3
  • H donors: 1 H acceptors: 4 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cn1c(=O)n(C)c2c(c1=O)n(Cc1ccccc1)c(n2)Br)O
  • InChi: 1S/C16H17BrN4O3/c1-10(22)8-21-14(23)12-13(19(2)16(21)24)18-15(17)20(12)9-11-6-4-3-5-7-11/h3-7,10,22H,8-9H2,1-2H3
  • InChiKey: PQVACRYZXPSOBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-(benzyl)-8-bromo-1-(2-hydroxypropyl)-3-methyl-xanthine
  • MLS000526226
  • Oprea1_440086
  • Oprea1_542919
  • SMR000116700
  • ChemDiv1_019964
  • 7-Benzyl-8-bromo-1-(2-hydroxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione
  • BAS 00458032

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0721 0.5629 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0388 0.2958 0.4054
Schistosoma mansoni rab6-interacting 0.002 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0165 0.117 0.117
Loa Loa (eye worm) doublecortin family protein 0.002 0.0005 0.0005
Plasmodium vivax serine-repeat antigen (SERA) 0.0161 0.1137 0.2021
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0161 0.1137 0.1137
Brugia malayi cathepsin F-like cysteine proteinase 0.0227 0.1668 0.1668
Toxoplasma gondii preprocathepsin c precursor, putative 0.0161 0.1137 0.2021
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.0794 0.0794
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1265 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0502 0.3878 0.6102
Entamoeba histolytica cysteine protease, putative 0.0721 0.5629 1
Plasmodium vivax unspecified product 0.0227 0.1668 0.2963
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0721 0.5629 0.5629
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0721 0.5629 0.5629
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0307 0.0307
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0325 0.0325
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0005 0.0009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0196 0.0196
Plasmodium falciparum cysteine proteinase falcipain 3 0.0721 0.5629 1
Brugia malayi fibroinase precursor 0.0161 0.1137 0.1137
Schistosoma mansoni cathepsin B (C01 family) 0.0161 0.1137 0.1137
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0005 0.0005
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0415 0.3177 0.3177
Brugia malayi cathepsin Z-like cysteine proteinase 0.0161 0.1137 0.1137
Brugia malayi hypothetical protein 0.002 0.0005 0.0005
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0161 0.1137 0.2021
Onchocerca volvulus 0.0494 0.3808 0.6762
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0388 0.2958 0.4054
Toxoplasma gondii cathepsin CPC2 0.0161 0.1137 0.2021
Echinococcus granulosus cathepsin b 0.1265 1 1
Plasmodium vivax serine-repeat antigen (SERA) 0.0161 0.1137 0.2021
Brugia malayi cathepsin F-like cysteine proteinase 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Trypanosoma cruzi cysteine proteinase, putative 0.0388 0.2958 0.2958
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0721 0.5629 1
Schistosoma mansoni cathepsin F (C01 family) 0.0721 0.5629 0.5629
Plasmodium vivax vivapain-1 0.0388 0.2958 0.5256
Loa Loa (eye worm) hypothetical protein 0.006 0.0325 0.0325
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0502 0.3878 0.689
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.1732 0.1732
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Toxoplasma gondii cathepsin B 0.0502 0.3878 0.689
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.1137 0.1137
Entamoeba histolytica cysteine proteinase 2 0.0388 0.2958 0.5085
Giardia lamblia Cathepsin B precursor 0.0502 0.3878 1
Schistosoma mansoni polycystin 1-related 0.002 0.0005 0.0005
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0721 0.5629 0.5629
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0005 0.0005
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Giardia lamblia Cathepsin B precursor 0.0502 0.3878 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0388 0.2958 0.5256
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0161 0.1137 0.2021
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0161 0.1137 0.2021
Echinococcus granulosus RUN 0.002 0.0005 0.0005
Trypanosoma cruzi cruzipain precursor, putative 0.0721 0.5629 0.5629
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2958 0.5256
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0721 0.5629 0.5629
Brugia malayi Pre-SET motif family protein 0.0415 0.3177 0.3177
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0161 0.1137 0.2021
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Giardia lamblia Cathepsin B precursor 0.0502 0.3878 1
Onchocerca volvulus 0.0721 0.5629 1
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Loa Loa (eye worm) hypothetical protein 0.0227 0.1668 0.1668
Brugia malayi cathepsin L-like precursor 0.0494 0.3808 0.3808
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.0794 0.0794
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.1137 0.1137
Trypanosoma cruzi major cysteine proteinase, putative 0.0161 0.1137 0.1137
Plasmodium falciparum serine repeat antigen 5 0.0161 0.1137 0.2021
Echinococcus granulosus geminin 0.0165 0.117 0.117
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Plasmodium falciparum serine repeat antigen 4 0.0161 0.1137 0.2021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Plasmodium falciparum serine repeat antigen 6 0.0161 0.1137 0.2021
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0494 0.3808 0.3808
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0721 0.5629 1
Plasmodium vivax vivapain-3 0.0388 0.2958 0.5256
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0005 0.0005
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Plasmodium vivax unspecified product 0.0161 0.1137 0.2021
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0388 0.2958 0.2958
Echinococcus granulosus cathepsin L cysteine proteinase 0.0721 0.5629 0.5629
Echinococcus multilocularis cathepsin b 0.1265 1 1
Schistosoma mansoni hypothetical protein 0.0165 0.117 0.117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Plasmodium vivax vivapain-2 0.0721 0.5629 1
Trichomonas vaginalis set domain proteins, putative 0.0472 0.3637 0.5565
Onchocerca volvulus 0.0721 0.5629 1
Schistosoma mansoni cathepsin C 0.0161 0.1137 0.1137
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Schistosoma mansoni hypothetical protein 0.0048 0.0231 0.0231
Echinococcus granulosus cathepsin l cysteine peptidase 0.0721 0.5629 0.5629
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Loa Loa (eye worm) hypothetical protein 0.0494 0.3808 0.3808
Brugia malayi Doublecortin family protein 0.002 0.0005 0.0005
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0231 0.0231
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0325 0.0325
Echinococcus granulosus cathepsin L cysteine protease 0.0388 0.2958 0.2958
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Plasmodium vivax SET domain protein, putative 0.006 0.0325 0.0577
Plasmodium falciparum serine repeat antigen 8 0.0161 0.1137 0.2021
Leishmania major cysteine peptidase A (CPA) 0.0721 0.5629 1
Onchocerca volvulus 0.0721 0.5629 1
Onchocerca volvulus Cathepsin L homolog 0.0721 0.5629 1
Entamoeba histolytica cysteine proteinase, putative 0.0494 0.3808 0.6649
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1668 0.1668
Trypanosoma cruzi cysteine peptidase, putative 0.0388 0.2958 0.2958
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Entamoeba histolytica cysteine proteinase, putative 0.0388 0.2958 0.5085
Onchocerca volvulus 0.0472 0.3637 0.6458
Plasmodium falciparum serine repeat antigen 3 0.0161 0.1137 0.2021
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0325 0.0325
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Entamoeba histolytica cysteine proteinase, putative 0.0388 0.2958 0.5085
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0388 0.2958 0.2958
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Echinococcus multilocularis cathepsin L cysteine protease 0.0721 0.5629 0.5629
Echinococcus granulosus cathepsin L 0.0161 0.1137 0.1137
Trypanosoma cruzi cruzipain precursor, putative 0.0227 0.1668 0.1668
Plasmodium falciparum serine repeat antigen 2 0.0161 0.1137 0.2021
Trypanosoma cruzi cysteine peptidase, putative 0.0721 0.5629 0.5629
Trypanosoma cruzi cysteine peptidase, putative 0.0227 0.1668 0.1668
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Schistosoma mansoni hypothetical protein 0.0043 0.0196 0.0196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Echinococcus multilocularis cysteine protease 0.0721 0.5629 0.5629
Loa Loa (eye worm) cathepsin B 0.0502 0.3878 0.3878
Brugia malayi MH2 domain containing protein 0.0119 0.0805 0.0805
Entamoeba histolytica cysteine proteinase, putative 0.0721 0.5629 1
Echinococcus multilocularis cathepsin L 0.0161 0.1137 0.1137
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0325 0.0325
Brugia malayi Cathepsin L-like cysteine proteinase 0.0494 0.3808 0.3808
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0161 0.1137 0.2021
Loa Loa (eye worm) hypothetical protein 0.1265 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0388 0.2958 0.5256
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0161 0.1137 0.2021
Echinococcus multilocularis cathepsin L cysteine protease 0.0721 0.5629 0.5629
Echinococcus granulosus cathepsin l1 0.0721 0.5629 0.5629
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0325 0.0325
Loa Loa (eye worm) ctsf protein 0.0721 0.5629 0.5629
Brugia malayi Papain family cysteine protease containing protein 0.0388 0.2958 0.2958
Entamoeba histolytica cysteine proteinase 1, putative 0.0388 0.2958 0.5085
Echinococcus granulosus cysteine protease 0.0388 0.2958 0.2958
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3808 0.5946
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0161 0.1137 0.1137
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0502 0.3878 0.3878
Toxoplasma gondii cathepsin CPL 0.0721 0.5629 1
Echinococcus granulosus cathepsin L 0.0388 0.2958 0.2958
Schistosoma mansoni cathepsin S (C01 family) 0.0161 0.1137 0.1137
Entamoeba histolytica hypothetical protein 0.0161 0.1137 0.1734
Echinococcus multilocularis cathepsin b 0.1265 1 1
Trypanosoma cruzi cysteine protease, putative 0.0388 0.2958 0.2958
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0721 0.5629 1
Schistosoma mansoni cathepsin s 0.0227 0.1668 0.1668
Onchocerca volvulus Cathepsin L homolog 0.0161 0.1137 0.2013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.1137 0.1137
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Loa Loa (eye worm) cysteine protease 0.0721 0.5629 0.5629
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0805 0.0805
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0388 0.2958 0.2958
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0161 0.1137 0.1137
Brugia malayi Cathepsin L-like precursor 0.0494 0.3808 0.3808
Onchocerca volvulus 0.006 0.0325 0.0568
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1265 1 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0161 0.1137 0.2021
Trypanosoma cruzi major cysteine proteinase, putative 0.0161 0.1137 0.1137
Trypanosoma cruzi cysteine proteinase, putative 0.0388 0.2958 0.2958
Onchocerca volvulus Cathepsin L homolog 0.0721 0.5629 1
Onchocerca volvulus 0.0721 0.5629 1
Plasmodium vivax vivapain-2 0.0721 0.5629 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0161 0.1137 0.2021
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Loa Loa (eye worm) hypothetical protein 0.0235 0.1732 0.1732
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0161 0.1137 0.2021
Onchocerca volvulus 0.0721 0.5629 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0161 0.1137 0.2021
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Entamoeba histolytica cysteine proteinase, putative 0.0388 0.2958 0.5085
Schistosoma mansoni rab6-interacting 0.002 0.0005 0.0005
Trypanosoma cruzi cysteine peptidase, putative 0.0721 0.5629 0.5629
Brugia malayi Cathepsin L-like precursor 0.0494 0.3808 0.3808
Echinococcus multilocularis RUN 0.002 0.0005 0.0005
Schistosoma mansoni loxhd1 0.002 0.0005 0.0005
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0805 0.0805
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0494 0.3808 0.5946
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0005 0.0005
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0161 0.1137 0.1734
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0161 0.1137 0.2021
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0388 0.2958 0.2958
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0502 0.3878 0.3878
Brugia malayi Pre-SET motif family protein 0.006 0.0325 0.0325
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0721 0.5629 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0494 0.3808 0.3808
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0227 0.1668 0.1668
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.1732 0.1732
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.1137 0.1137
Trypanosoma brucei cysteine peptidase C (CPC) 0.0502 0.3878 0.689
Entamoeba histolytica cysteine proteinase, putative 0.0388 0.2958 0.5085
Plasmodium falciparum serine repeat antigen 1 0.0161 0.1137 0.2021
Plasmodium falciparum serine repeat antigen 7 0.0161 0.1137 0.2021
Plasmodium falciparum serine repeat antigen 9 0.0161 0.1137 0.2021
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0161 0.1137 0.2021
Loa Loa (eye worm) fibroinase 0.0721 0.5629 0.5629
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.1137 0.1137
Trypanosoma cruzi cysteine peptidase, putative 0.0721 0.5629 0.5629
Trypanosoma cruzi cysteine peptidase, putative 0.0721 0.5629 0.5629
Echinococcus multilocularis geminin 0.0165 0.117 0.117
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0227 0.1668 0.1668
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Echinococcus granulosus cathepsin l1 0.0494 0.3808 0.3808
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0325 0.0325
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Entamoeba histolytica cysteine protease, putative 0.0388 0.2958 0.5085
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0227 0.1668 0.1668
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1265 1 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0161 0.1137 0.1137
Schistosoma mansoni cathepsin F (C01 family) 0.0494 0.3808 0.3808
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0161 0.1137 0.1734
Brugia malayi hypothetical protein 0.0235 0.1732 0.1732
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Brugia malayi cathepsin L precursor 0.0161 0.1137 0.1137
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0494 0.3808 0.3808
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0161 0.1137 0.1137
Echinococcus multilocularis cathepsin L 0.0388 0.2958 0.2958
Brugia malayi Cathepsin L-like precursor 0.0227 0.1668 0.1668
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0161 0.1137 0.1137
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0325 0.0577
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0161 0.1137 0.2021
Loa Loa (eye worm) hypothetical protein 0.0161 0.1137 0.1137
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1265 1 1
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0005 0.0009
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0161 0.1137 0.1137
Entamoeba histolytica cysteine protease, putative 0.0161 0.1137 0.1734
Schistosoma mansoni cathepsin F (C01 family) 0.0721 0.5629 0.5629
Schistosoma mansoni lipoxygenase 0.0118 0.0794 0.0794
Echinococcus granulosus cathepsin b 0.1265 1 1
Onchocerca volvulus 0.0161 0.1137 0.2013
Brugia malayi cathepsin L-like cysteine proteinase 0.0161 0.1137 0.1137
Brugia malayi Papain family cysteine protease containing protein 0.0161 0.1137 0.1137
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0811 0.6357 0.6357
Loa Loa (eye worm) hypothetical protein 0.0721 0.5629 0.5629
Onchocerca volvulus 0.0721 0.5629 1
Brugia malayi Papain family cysteine protease containing protein 0.0721 0.5629 0.5629
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0325 0.0325
Schistosoma mansoni lipoxygenase 0.0082 0.0509 0.0509
Schistosoma mansoni survival motor neuron protein 0.0048 0.0231 0.0231
Onchocerca volvulus Cathepsin F homolog 0.0721 0.5629 1
Plasmodium vivax unspecified product 0.0388 0.2958 0.5256
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0196 0.0196
Onchocerca volvulus 0.0048 0.0231 0.0402
Brugia malayi hypothetical protein 0.0043 0.0196 0.0196
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1
Brugia malayi Cathepsin L-like precursor 0.0721 0.5629 0.5629
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0161 0.1137 0.1137
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Toxoplasma gondii cathepsin CPC1 0.0161 0.1137 0.2021
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1265 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0721 0.5629 1
Leishmania major cathepsin L-like protease 0.0721 0.5629 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Echinococcus multilocularis cysteine protease 0.0721 0.5629 0.5629
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.002 0.0005 0.0005
Brugia malayi Papain family cysteine protease containing protein 0.0388 0.2958 0.2958
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0721 0.5629 1
Entamoeba histolytica cysteine proteinase, putative 0.0721 0.5629 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0161 0.1137 0.1137
Brugia malayi hypothetical protein 0.002 0.0005 0.0005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0721 0.5629 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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) 10.4179 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) 14.1254 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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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