Detailed information for compound 1393608

Basic information

Technical information
  • TDR Targets ID: 1393608
  • Name: N-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) thiophene-2-carboxamide
  • MW: 345.275 | Formula: C11H15F3NO4PS
  • H donors: 1 H acceptors: 2 LogP: 2.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(C(C(F)(F)F)NC(=O)c1cccs1)OCC
  • InChi: 1S/C11H15F3NO4PS/c1-3-18-20(17,19-4-2)10(11(12,13)14)15-9(16)8-6-5-7-21-8/h5-7,10H,3-4H2,1-2H3,(H,15,16)
  • InChiKey: CVXKHTICAQMPKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-diethoxyphosphoryl-2,2,2-trifluoro-ethyl)thiophene-2-carboxamide
  • N-(1-diethoxyphosphoryl-2,2,2-trifluoroethyl)-2-thiophenecarboxamide
  • MLS001018062
  • SMR000354329
  • T0500-2857

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cathepsin b 0.1036 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.0283 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Onchocerca volvulus 0.006 0.0283 0.1724
Echinococcus multilocularis cathepsin L 0.0114 0.0821 0.0815
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Onchocerca volvulus 0.0194 0.1611 1
Onchocerca volvulus Cathepsin L homolog 0.0194 0.1611 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.0283 0.0451
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0412 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0412 0.0406
Echinococcus granulosus cathepsin l1 0.014 0.1072 0.1067
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.006 0.0283 0.0451
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Plasmodium vivax unspecified product 0.0114 0.0821 0.4322
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Brugia malayi cathepsin F-like cysteine proteinase 0.0054 0.022 0.0214
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0362 0.3288 0.3284
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0389 0.0383
Brugia malayi hypothetical protein 0.0148 0.1156 0.115
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0194 0.1611 0.1611
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Echinococcus granulosus cathepsin b 0.1036 1 1
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.1036 1 1
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.014 0.1072 0.5946
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0114 0.0821 0.0615
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.0283 0.0283
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.014 0.1072 0.0871
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Entamoeba histolytica cysteine proteinase 2 0.0114 0.0821 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.0283 0.0064
Loa Loa (eye worm) cysteine protease 0.0194 0.1611 0.1611
Echinococcus granulosus cathepsin L cysteine protease 0.0114 0.0821 0.0815
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium vivax vivapain-3 0.0114 0.0821 0.4322
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Schistosoma mansoni cathepsin B (C01 family) 0.006 0.0283 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.006 0.0283 0.0283
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Brugia malayi Cathepsin L-like precursor 0.014 0.1072 0.1067
Onchocerca volvulus Cathepsin L homolog 0.0194 0.1611 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0054 0.022 0.022
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.006 0.0283 0.0451
Onchocerca volvulus 0.0194 0.1611 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Loa Loa (eye worm) hypothetical protein 0.0194 0.1611 0.1611
Plasmodium vivax vivapain-2 0.0194 0.1611 1
Brugia malayi Cathepsin L-like precursor 0.0054 0.022 0.0214
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Brugia malayi Cathepsin L-like cysteine proteinase 0.014 0.1072 0.1067
Loa Loa (eye worm) fibroinase 0.0194 0.1611 0.1611
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0412 0.0406
Brugia malayi cahepsin L-like non-peptiedase homolog 0.006 0.0283 0.0277
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.0283 0.0277
Brugia malayi fibroinase precursor 0.006 0.0283 0.0277
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0194 0.1611 0.4419
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Onchocerca volvulus 0.0194 0.1611 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.0821 0.1791
Echinococcus multilocularis cathepsin L cysteine protease 0.0194 0.1611 0.1606
Onchocerca volvulus 0.0194 0.1611 1
Schistosoma mansoni cathepsin F (C01 family) 0.014 0.1072 0.1067
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.0821 0.0815
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0389 0.0383
Onchocerca volvulus Cathepsin L homolog 0.006 0.0283 0.1724
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0362 0.3288 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Schistosoma mansoni cathepsin F (C01 family) 0.0194 0.1611 0.1606
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni cathepsin S (C01 family) 0.006 0.0283 0.0277
Onchocerca volvulus 0.014 0.1072 0.6645
Brugia malayi Cathepsin L-like precursor 0.014 0.1072 0.1067
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0389 0.0383
Schistosoma mansoni cathepsin C 0.006 0.0283 0.0277
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0412 0.0406
Brugia malayi cathepsin F-like cysteine proteinase 0.006 0.0283 0.0277
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.006 0.0283 0.0451
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Echinococcus multilocularis cysteine protease 0.0194 0.1611 0.1606
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Trypanosoma brucei cysteine peptidase C (CPC) 0.0362 0.3288 1
Echinococcus multilocularis cysteine protease 0.0194 0.1611 0.1606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.0283 0.0451
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.0821 0.0615
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Toxoplasma gondii cathepsin CPL 0.0194 0.1611 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0194 0.1611 0.1606
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0148 0.1156 0.1156
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.006 0.0283 0.0451
Onchocerca volvulus 0.0194 0.1611 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Echinococcus granulosus cathepsin L 0.0114 0.0821 0.0815
Brugia malayi jmjC domain containing protein 0.0071 0.0389 0.0383
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0412 0.0431
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1036 1 1
Plasmodium vivax unspecified product 0.006 0.0283 0.0451
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.006 0.0283 0.0451
Trypanosoma cruzi cysteine peptidase, putative 0.0114 0.0821 0.0615
Plasmodium falciparum cysteine proteinase falcipain 1 0.0114 0.0821 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Echinococcus multilocularis cathepsin b 0.1036 1 1
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Echinococcus multilocularis cathepsin b 0.1036 1 1
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
Echinococcus granulosus cathepsin L cysteine proteinase 0.0194 0.1611 0.1606
Echinococcus granulosus cathepsin l1 0.0194 0.1611 0.1606
Schistosoma mansoni cathepsin s 0.0054 0.022 0.0214
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.0283 0.0451
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0389 0.0383
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Entamoeba histolytica cysteine protease, putative 0.0194 0.1611 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0362 0.3288 0.3137
Echinococcus multilocularis cathepsin L 0.006 0.0283 0.0277
Entamoeba histolytica cysteine proteinase, putative 0.0194 0.1611 1
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.0283 0.0283
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.0283 0.0064
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Onchocerca volvulus 0.0194 0.1611 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1036 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0006 0.0006
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma cruzi cruzipain precursor, putative 0.0194 0.1611 0.1422
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.006 0.0283 0.0451
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Loa Loa (eye worm) ctsf protein 0.0194 0.1611 0.1611
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.0283 0.0277
Brugia malayi jmjC domain containing protein 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium falciparum cysteine proteinase falcipain 3 0.0194 0.1611 1
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.0283 0.0451
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0389 0.0389
Echinococcus granulosus cysteine protease 0.0114 0.0821 0.0815
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Onchocerca volvulus Huntingtin homolog 0.0148 0.1156 0.7165
Echinococcus granulosus cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Trypanosoma cruzi cysteine protease, putative 0.0114 0.0821 0.0615
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.0821 0.0815
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Brugia malayi cathepsin L-like precursor 0.014 0.1072 0.1067
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.006 0.0283 0.0451
Echinococcus granulosus cathepsin L 0.006 0.0283 0.0277
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Onchocerca volvulus Huntingtin homolog 0.0148 0.1156 0.7165
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Toxoplasma gondii cathepsin B 0.0362 0.3288 1
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Entamoeba histolytica cysteine proteinase 1, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0412 0.0406
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Brugia malayi Papain family cysteine protease containing protein 0.0194 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Leishmania major cysteine peptidase A (CPA) 0.0194 0.1611 0.4167
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.1072 0.2627
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0362 0.3288 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium vivax vivapain-1 0.0114 0.0821 0.4322
Onchocerca volvulus 0.0194 0.1611 1
Entamoeba histolytica cysteine proteinase, putative 0.0194 0.1611 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0006
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0054 0.022 0.0214
Loa Loa (eye worm) hypothetical protein 0.0148 0.1156 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.1072 0.2627
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Loa Loa (eye worm) cathepsin B 0.0362 0.3288 0.3288
Echinococcus multilocularis cathepsin L cysteine protease 0.0194 0.1611 0.1606
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0194 0.1611 1
Brugia malayi cathepsin L-like cysteine proteinase 0.006 0.0283 0.0277
Brugia malayi cathepsin L precursor 0.006 0.0283 0.0277
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.006 0.0283 0.0451
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0194 0.1611 1
Onchocerca volvulus Cathepsin F homolog 0.0194 0.1611 1
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.0821 0.0615
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.0821 0.1791
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Plasmodium vivax vivapain-2 0.0194 0.1611 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0194 0.1611 0.1611

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0738 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) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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) 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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