Detailed information for compound 1376668

Basic information

Technical information
  • TDR Targets ID: 1376668
  • Name: 2-(4-acetylphenoxy)-N-(3-pyrrolidin-1-ylsulfo nylphenyl)acetamide
  • MW: 402.464 | Formula: C20H22N2O5S
  • H donors: 1 H acceptors: 4 LogP: 2.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)S(=O)(=O)N1CCCC1)COc1ccc(cc1)C(=O)C
  • InChi: 1S/C20H22N2O5S/c1-15(23)16-7-9-18(10-8-16)27-14-20(24)21-17-5-4-6-19(13-17)28(25,26)22-11-2-3-12-22/h4-10,13H,2-3,11-12,14H2,1H3,(H,21,24)
  • InChiKey: RJMPGDPTQQHFJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-acetylphenoxy)-N-(3-1-pyrrolidinylsulfonylphenyl)acetamide
  • 2-(4-ethanoylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide
  • T5386413
  • ZINC06628296

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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii isocitrate dehydrogenase 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
Toxoplasma gondii 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
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma brucei isocitrate dehydrogenase, 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
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative 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
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative 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
Leishmania donovani 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
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi 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
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Trypanosoma brucei gambiense isocitrate dehydrogenase, 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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 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 congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Loa Loa (eye worm) ctsf protein 0.0657 0.5199 0.5199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Entamoeba histolytica cysteine proteinase, putative 0.035 0.2612 0.5005
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0657 0.5199 0.5199
Brugia malayi fibroinase precursor 0.0142 0.0848 0.0848
Onchocerca volvulus 0.0657 0.5199 0.4754
Brugia malayi LBP/BPI 0.0523 0.4068 0.4068
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0209 0.1416 0.1416
Trypanosoma cruzi cysteine peptidase, putative 0.0657 0.5199 0.6382
Echinococcus multilocularis cathepsin L cysteine protease 0.0657 0.5199 0.6774
Onchocerca volvulus 0.0657 0.5199 0.4754
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2069 0.2806
Toxoplasma gondii cathepsin B 0.0391 0.2956 0.4846
Loa Loa (eye worm) hypothetical protein 0.0448 0.3435 0.3435
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Onchocerca volvulus 0.1225 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0448 0.3435 0.5946
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Plasmodium vivax vivapain-1 0.035 0.2612 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0848 0.1106
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0142 0.0848 0.0848
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0848 0.0848
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Onchocerca volvulus 0.0657 0.5199 0.4754
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Loa Loa (eye worm) hypothetical protein 0.1225 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Entamoeba histolytica cysteine proteinase 2 0.035 0.2612 0.5005
Echinococcus multilocularis cathepsin b 0.0949 0.7665 1
Trichomonas vaginalis conserved hypothetical protein 0.0523 0.4068 0.7401
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Loa Loa (eye worm) hypothetical protein 0.0949 0.7665 0.7665
Loa Loa (eye worm) hypothetical protein 0.0657 0.5199 0.5199
Entamoeba histolytica cysteine protease, putative 0.0657 0.5199 1
Plasmodium vivax vivapain-2 0.0657 0.5199 1
Onchocerca volvulus 0.0702 0.5584 0.5175
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0142 0.0848 0.1106
Loa Loa (eye worm) hypothetical protein 0.0209 0.1416 0.1416
Schistosoma mansoni cathepsin C 0.0142 0.0848 0.1106
Loa Loa (eye worm) cathepsin B 0.0391 0.2956 0.2956
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0142 0.0848 0.16
Echinococcus granulosus cathepsin L cysteine protease 0.035 0.2612 0.3391
Loa Loa (eye worm) hypothetical protein 0.0448 0.3435 0.3435
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1775 0.1775
Schistosoma mansoni cathepsin F (C01 family) 0.0657 0.5199 0.6782
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0657 0.5199 1
Echinococcus multilocularis cathepsin b 0.0949 0.7665 1
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Trypanosoma cruzi cruzipain precursor, putative 0.0209 0.1416 0.0834
Onchocerca volvulus Cathepsin F homolog 0.0657 0.5199 0.4754
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Onchocerca volvulus 0.1225 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0848 0.0848
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Plasmodium vivax vivapain-2 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0848 0.1106
Onchocerca volvulus 0.0702 0.5584 0.5175
Schistosoma mansoni cathepsin B (C01 family) 0.0142 0.0848 0.1106
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0657 0.5199 0.6774
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0391 0.2956 0.3093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Brugia malayi cathepsin L precursor 0.0142 0.0848 0.0848
Loa Loa (eye worm) fibroinase 0.0657 0.5199 0.5199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0448 0.3435 0.5946
Entamoeba histolytica cysteine proteinase 1, putative 0.035 0.2612 0.5005
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0848 0.1106
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0209 0.1416 0.1416
Brugia malayi hypothetical protein 0.0523 0.4068 0.4068
Onchocerca volvulus 0.0523 0.4068 0.3519
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Trypanosoma cruzi cysteine peptidase, putative 0.0657 0.5199 0.6382
Echinococcus granulosus cathepsin L 0.0142 0.0848 0.1084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Onchocerca volvulus Cathepsin L homolog 0.0657 0.5199 0.4754
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0949 0.7665 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.035 0.2612 0.3407
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Giardia lamblia Cathepsin B precursor 0.0391 0.2956 1
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0142 0.0848 0.0848
Brugia malayi Pre-SET motif family protein 0.0251 0.1775 0.1775
Onchocerca volvulus 0.1225 1 1
Echinococcus granulosus cathepsin b 0.0949 0.7665 1
Onchocerca volvulus 0.1225 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0657 0.5199 1
Trypanosoma cruzi cysteine protease, putative 0.035 0.2612 0.2587
Giardia lamblia Cathepsin B precursor 0.0391 0.2956 1
Onchocerca volvulus 0.0448 0.3435 0.2827
Echinococcus multilocularis cysteine protease 0.0657 0.5199 0.6774
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Brugia malayi hypothetical protein 0.0043 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.006 0.0161 0.0161
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.035 0.2612 0.4054
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0142 0.0848 0.1106
Loa Loa (eye worm) hypothetical protein 0.0702 0.5584 0.5584
Echinococcus granulosus cathepsin L 0.035 0.2612 0.3391
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0848 0.1106
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0702 0.5584 0.5584
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0209 0.1416 0.1416
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Trypanosoma cruzi cruzipain precursor, putative 0.0657 0.5199 0.6382
Schistosoma mansoni cathepsin S (C01 family) 0.0142 0.0848 0.1106
Brugia malayi Cathepsin L-like precursor 0.0448 0.3435 0.3435
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0702 0.5584 0.5584
Brugia malayi cathepsin F-like cysteine proteinase 0.0142 0.0848 0.0848
Echinococcus multilocularis cathepsin L cysteine protease 0.0657 0.5199 0.6774
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Echinococcus granulosus cathepsin l1 0.0448 0.3435 0.4467
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Entamoeba histolytica cysteine proteinase, putative 0.035 0.2612 0.5005
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0142 0.0848 0.1106
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Trypanosoma cruzi cysteine peptidase, putative 0.0657 0.5199 0.6382
Loa Loa (eye worm) hypothetical protein 0.0448 0.3435 0.3435
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0448 0.3435 0.3795
Entamoeba histolytica cysteine proteinase, putative 0.035 0.2612 0.5005
Plasmodium falciparum cysteine proteinase falcipain 1 0.035 0.2612 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0142 0.0848 0.1106
Entamoeba histolytica cysteine proteinase, putative 0.035 0.2612 0.5005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0657 0.5199 1
Loa Loa (eye worm) hypothetical protein 0.0702 0.5584 0.5584
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0142 0.0848 0.1106
Schistosoma mansoni cathepsin F (C01 family) 0.0657 0.5199 0.6782
Entamoeba histolytica cysteine proteinase, putative 0.0657 0.5199 1
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Schistosoma mansoni hypothetical protein 0.0043 0.0019 0.0025
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0161 0.0161
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0657 0.5199 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0142 0.0848 0.16
Onchocerca volvulus 0.0657 0.5199 0.4754
Brugia malayi Cathepsin L-like precursor 0.0209 0.1416 0.1416
Onchocerca volvulus 0.1225 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0391 0.2956 0.3857
Brugia malayi cathepsin Z-like cysteine proteinase 0.0142 0.0848 0.0848
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.1225 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.035 0.2612 0.2587
Loa Loa (eye worm) hypothetical protein 0.0209 0.1416 0.1416
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Loa Loa (eye worm) hypothetical protein 0.0702 0.5584 0.5584
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Trypanosoma cruzi cysteine peptidase, putative 0.0209 0.1416 0.0834
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0161 0.0161
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Toxoplasma gondii cathepsin CPL 0.0657 0.5199 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0142 0.0848 0.0848
Loa Loa (eye worm) cysteine protease 0.0657 0.5199 0.5199
Loa Loa (eye worm) hypothetical protein 0.0523 0.4068 0.4068
Trypanosoma cruzi cysteine peptidase, putative 0.0657 0.5199 0.6382
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0949 0.7665 1
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Entamoeba histolytica hypothetical protein 0.0142 0.0848 0.16
Brugia malayi cathepsin L-like precursor 0.0448 0.3435 0.3435
Onchocerca volvulus 0.0657 0.5199 0.4754
Schistosoma mansoni cathepsin s 0.0209 0.1416 0.1848
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Brugia malayi cathepsin B-like cysteine proteinase 0.0949 0.7665 0.7665
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.1225 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Schistosoma mansoni cathepsin F (C01 family) 0.0448 0.3435 0.4481
Plasmodium vivax unspecified product 0.0209 0.1416 0.1306
Brugia malayi Papain family cysteine protease containing protein 0.0142 0.0848 0.0848
Entamoeba histolytica cysteine proteinase, putative 0.0448 0.3435 0.6594
Loa Loa (eye worm) hypothetical protein 0.0523 0.4068 0.4068
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Echinococcus granulosus cathepsin b 0.0949 0.7665 1
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Onchocerca volvulus 0.0286 0.2069 0.1334
Onchocerca volvulus 0.1225 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0657 0.5199 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0949 0.7665 1
Plasmodium vivax unspecified product 0.035 0.2612 0.4054
Loa Loa (eye worm) hypothetical protein 0.0523 0.4068 0.4068
Brugia malayi hypothetical protein 0.0702 0.5584 0.5584
Onchocerca volvulus 0.0657 0.5199 0.4754
Onchocerca volvulus 0.0657 0.5199 0.4754
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Loa Loa (eye worm) hypothetical protein 0.0209 0.1416 0.1416
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.035 0.2612 0.4054
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Loa Loa (eye worm) hypothetical protein 0.0523 0.4068 0.4068
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0702 0.5584 0.5584
Loa Loa (eye worm) hypothetical protein 0.0142 0.0848 0.0848
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.035 0.2612 0.3407
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.035 0.2612 0.3407
Brugia malayi cathepsin Z-like cysteine proteinase 0.0142 0.0848 0.0848
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0019 0.0025
Brugia malayi hypothetical protein 0.0702 0.5584 0.5584
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Brugia malayi Papain family cysteine protease containing protein 0.035 0.2612 0.2612
Plasmodium vivax vivapain-3 0.035 0.2612 0.4054
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Echinococcus multilocularis cathepsin L 0.035 0.2612 0.3391
Onchocerca volvulus 0.1225 1 1
Echinococcus multilocularis cysteine protease 0.0657 0.5199 0.6774
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0657 0.5199 1
Entamoeba histolytica cysteine protease, putative 0.035 0.2612 0.5005
Brugia malayi Papain family cysteine protease containing protein 0.035 0.2612 0.2612
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0657 0.5199 1
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0142 0.0848 0.0848
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0657 0.5199 0.6774
Entamoeba histolytica cysteine protease, putative 0.0142 0.0848 0.16
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0702 0.5584 0.5584
Loa Loa (eye worm) hypothetical protein 0.0702 0.5584 0.5584
Leishmania major cysteine peptidase A (CPA) 0.0657 0.5199 1
Brugia malayi Cathepsin L-like precursor 0.0657 0.5199 0.5199
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0702 0.5584 0.5584
Echinococcus granulosus cathepsin l1 0.0657 0.5199 0.6774
Echinococcus granulosus cathepsin L cysteine proteinase 0.0657 0.5199 0.6774
Plasmodium falciparum cysteine proteinase falcipain 3 0.0657 0.5199 1
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Onchocerca volvulus Cathepsin L homolog 0.0657 0.5199 0.4754
Leishmania major cathepsin L-like protease 0.0657 0.5199 1
Brugia malayi Papain family cysteine protease containing protein 0.0657 0.5199 0.5199
Trypanosoma brucei cysteine peptidase C (CPC) 0.0391 0.2956 0.1332
Brugia malayi Cathepsin L-like cysteine proteinase 0.0448 0.3435 0.3435
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0702 0.5584 0.5584
Onchocerca volvulus 0.1225 1 1
Giardia lamblia Cathepsin B precursor 0.0391 0.2956 1
Echinococcus granulosus cysteine protease 0.035 0.2612 0.3391
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0657 0.5199 1
Echinococcus multilocularis cathepsin L 0.0142 0.0848 0.1084
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0391 0.2956 0.4846
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0949 0.7665 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0657 0.5199 0.5199
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.035 0.2612 0.2587
Brugia malayi cathepsin L-like cysteine proteinase 0.0142 0.0848 0.0848
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.1225 1 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0657 0.5199 0.6774
Brugia malayi Cathepsin L-like precursor 0.0448 0.3435 0.3435
Trypanosoma cruzi cysteine proteinase, putative 0.035 0.2612 0.2587
Trypanosoma cruzi cysteine peptidase, putative 0.035 0.2612 0.2587
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0949 0.7665 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 6.3096 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.6891 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) 16.3601 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
Potency (functional) 19.9526 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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