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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 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
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
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
Mycobacterium ulcerans aldehyde dehydrogenase 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) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein 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
Echinococcus granulosus cytoplasmic 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni 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
Echinococcus granulosus intermediate filament 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Lamin-C, putative 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0362 0.3288 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0362 0.3288 0.3137
Schistosoma mansoni cathepsin B (C01 family) 0.006 0.0283 0.0277
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0412 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Echinococcus multilocularis cathepsin L 0.0114 0.0821 0.0815
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.006 0.0283 0.0451
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0194 0.1611 0.1611
Trypanosoma cruzi cruzipain precursor, putative 0.0194 0.1611 0.1422
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
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
Schistosoma mansoni jumonji 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
Onchocerca volvulus 0.0194 0.1611 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Plasmodium vivax vivapain-2 0.0194 0.1611 1
Schistosoma mansoni cathepsin F (C01 family) 0.0194 0.1611 0.1606
Loa Loa (eye worm) cathepsin B 0.0362 0.3288 0.3288
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Onchocerca volvulus Cathepsin F homolog 0.0194 0.1611 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.0283 0.0277
Onchocerca volvulus 0.014 0.1072 0.6645
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.014 0.1072 0.1067
Brugia malayi jmjC domain containing protein 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.0821 0.1791
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0194 0.1611 0.4419
Onchocerca volvulus Cathepsin L homolog 0.0194 0.1611 1
Loa Loa (eye worm) fibroinase 0.0194 0.1611 0.1611
Plasmodium vivax vivapain-3 0.0114 0.0821 0.4322
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Brugia malayi cathepsin L-like cysteine proteinase 0.006 0.0283 0.0277
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Echinococcus granulosus cathepsin L cysteine proteinase 0.0194 0.1611 0.1606
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1036 1 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.006 0.0283 0.0277
Echinococcus granulosus cathepsin L 0.006 0.0283 0.0277
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0412 0.0406
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.1072 0.2627
Loa Loa (eye worm) hypothetical protein 0.0033 0.0006 0.0006
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.0283 0.0277
Onchocerca volvulus Huntingtin homolog 0.0148 0.1156 0.7165
Loa Loa (eye worm) cysteine protease 0.0194 0.1611 0.1611
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0114 0.0821 0.0615
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0412 0.0406
Plasmodium vivax vivapain-2 0.0194 0.1611 1
Echinococcus granulosus cathepsin b 0.1036 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.0283 0.0283
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Onchocerca volvulus 0.0194 0.1611 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0006 0.0006
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.006 0.0283 0.0451
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1036 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0389 0.0383
Echinococcus multilocularis cathepsin L 0.006 0.0283 0.0277
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0389 0.0383
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
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
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0412 0.0431
Plasmodium vivax unspecified product 0.0114 0.0821 0.4322
Onchocerca volvulus Huntingtin homolog 0.0148 0.1156 0.7165
Brugia malayi cahepsin L-like non-peptiedase homolog 0.006 0.0283 0.0277
Echinococcus granulosus cysteine protease 0.0114 0.0821 0.0815
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.014 0.1072 0.2627
Toxoplasma gondii cathepsin B 0.0362 0.3288 1
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0194 0.1611 0.4419
Onchocerca volvulus 0.0194 0.1611 1
Onchocerca volvulus 0.0194 0.1611 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0389 0.0383
Loa Loa (eye worm) hypothetical protein 0.0194 0.1611 0.1611
Brugia malayi cathepsin F-like cysteine proteinase 0.0054 0.022 0.0214
Schistosoma mansoni cathepsin C 0.006 0.0283 0.0277
Brugia malayi fibroinase precursor 0.006 0.0283 0.0277
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.006 0.0283 0.0277
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0362 0.3288 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.0283 0.0064
Brugia malayi Papain family cysteine protease containing protein 0.006 0.0283 0.0277
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0412 0.0406
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.0283 0.0451
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Loa Loa (eye worm) hypothetical protein 0.0148 0.1156 0.1156
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0389 0.0383
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Brugia malayi Cathepsin L-like precursor 0.014 0.1072 0.1067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.0283 0.0451
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0389 0.0383
Echinococcus granulosus cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.006 0.0283 0.0277
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Brugia malayi hypothetical protein 0.0148 0.1156 0.115
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.014 0.1072 0.0871
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Onchocerca volvulus 0.0194 0.1611 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.006 0.0283 0.0283
Echinococcus granulosus cathepsin L 0.0114 0.0821 0.0815
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Leishmania major cysteine peptidase A (CPA) 0.0194 0.1611 0.4167
Brugia malayi cathepsin L-like precursor 0.014 0.1072 0.1067
Entamoeba histolytica cysteine proteinase 1, putative 0.0114 0.0821 0.4054
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Brugia malayi Cathepsin L-like precursor 0.0194 0.1611 0.1606
Onchocerca volvulus Cathepsin L homolog 0.0194 0.1611 1
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
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
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Schistosoma mansoni cathepsin s 0.0054 0.022 0.0214
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0412 0.5
Onchocerca volvulus 0.0194 0.1611 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0194 0.1611 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0412 0.0406
Echinococcus multilocularis cathepsin L cysteine protease 0.0194 0.1611 0.1606
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Trypanosoma cruzi cysteine peptidase, putative 0.0194 0.1611 0.1422
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0194 0.1611 0.1611
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.0821 0.0615
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0006 0.0006
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Loa Loa (eye worm) hypothetical protein 0.0148 0.1156 0.1156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Loa Loa (eye worm) ctsf protein 0.0194 0.1611 0.1611
Plasmodium vivax vivapain-1 0.0114 0.0821 0.4322
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1036 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0194 0.1611 0.1606
Echinococcus granulosus cathepsin l1 0.014 0.1072 0.1067
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Schistosoma mansoni dipeptidyl-peptidase I (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
Brugia malayi cathepsin F-like cysteine proteinase 0.006 0.0283 0.0277
Brugia malayi Papain family cysteine protease containing protein 0.0194 0.1611 0.1606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0194 0.1611 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.006 0.0283 0.0451
Trypanosoma brucei cysteine peptidase C (CPC) 0.0362 0.3288 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0194 0.1611 1
Schistosoma mansoni cathepsin S (C01 family) 0.006 0.0283 0.0277
Brugia malayi cathepsin L precursor 0.006 0.0283 0.0277
Loa Loa (eye worm) hypothetical protein 0.014 0.1072 0.1072
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.006 0.0283 0.0283
Echinococcus multilocularis cathepsin b 0.1036 1 1
Brugia malayi Cathepsin L-like precursor 0.014 0.1072 0.1067
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0114 0.0821 0.1791
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Trypanosoma cruzi cysteine proteinase, putative 0.0114 0.0821 0.0615
Plasmodium vivax unspecified product 0.006 0.0283 0.0451
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0114 0.0821 0.0815
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0054 0.022 0.0214
Echinococcus multilocularis cathepsin L cysteine protease 0.0194 0.1611 0.1606
Echinococcus multilocularis cathepsin b 0.1036 1 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.006 0.0283 0.0451
Trypanosoma cruzi cysteine protease, putative 0.0114 0.0821 0.0615
Trypanosoma cruzi major cysteine proteinase, putative 0.006 0.0283 0.0064
Brugia malayi jmjC domain containing protein 0.0071 0.0389 0.0383
Entamoeba histolytica cysteine proteinase, putative 0.0194 0.1611 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Onchocerca volvulus 0.0194 0.1611 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0362 0.3288 0.3284
Plasmodium falciparum cysteine proteinase falcipain 1 0.0114 0.0821 0.4054
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.0821 0.0815
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.006 0.0283 0.0451
Brugia malayi Cathepsin L-like precursor 0.0054 0.022 0.0214
Loa Loa (eye worm) hypothetical protein 0.0054 0.022 0.022
Leishmania major cathepsin L-like protease 0.0194 0.1611 0.4167
Entamoeba histolytica cysteine protease, putative 0.0114 0.0821 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Entamoeba histolytica cysteine proteinase, putative 0.014 0.1072 0.5946
Echinococcus multilocularis cysteine protease 0.0194 0.1611 0.1606
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0194 0.1611 0.1606
Echinococcus granulosus cathepsin L cysteine protease 0.0114 0.0821 0.0815
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0194 0.1611 0.4419
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0389 0.0383
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
Entamoeba histolytica cysteine proteinase, putative 0.0114 0.0821 0.4054
Toxoplasma gondii cathepsin CPL 0.0194 0.1611 0.4419
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
Entamoeba histolytica cysteine proteinase 2 0.0114 0.0821 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Loa Loa (eye worm) hypothetical protein 0.006 0.0283 0.0283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0194 0.1611 0.4419
Brugia malayi Cathepsin L-like cysteine proteinase 0.014 0.1072 0.1067
Onchocerca volvulus 0.006 0.0283 0.1724
Plasmodium vivax serine-repeat antigen (SERA), putative 0.006 0.0283 0.0451
Plasmodium vivax serine-repeat antigen (SERA) 0.006 0.0283 0.0451
Giardia lamblia Cathepsin B precursor 0.0362 0.3288 1
Brugia malayi Papain family cysteine protease containing protein 0.0114 0.0821 0.0815
Entamoeba histolytica cysteine protease, putative 0.0194 0.1611 1
Echinococcus multilocularis cysteine protease 0.0194 0.1611 0.1606
Echinococcus granulosus cathepsin l1 0.0194 0.1611 0.1606
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0194 0.1611 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0194 0.1611 0.3201
Loa Loa (eye worm) hypothetical protein 0.1036 1 1
Echinococcus granulosus cathepsin b 0.1036 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.006 0.0283 0.0277
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.006 0.0283 0.0451
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0389 0.0389

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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