Detailed information for compound 1068854

Basic information

Technical information
  • TDR Targets ID: 1068854
  • Name: N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetraz ol-5-yl)sulfanylacetamide
  • MW: 311.79 | Formula: C12H14ClN5OS
  • H donors: 1 H acceptors: 4 LogP: 2.34 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nnnn1C)NCCc1ccc(cc1)Cl
  • InChi: 1S/C12H14ClN5OS/c1-18-12(15-16-17-18)20-8-11(19)14-7-6-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3,(H,14,19)
  • InChiKey: WSIFCKJNDYLTSE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-chlorophenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanyl-acetamide
  • N-[2-(4-chlorophenyl)ethyl]-2-[(1-methyl-5-tetrazolyl)thio]acetamide
  • N-[2-(4-chlorophenyl)ethyl]-2-[(1-methyltetrazol-5-yl)thio]acetamide
  • N-[2-(4-chlorophenyl)ethyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide
  • ZINC02640884
  • Oprea1_442176
  • T5237014
  • MLS000053624
  • SMR000066586

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei phosphoglycerate kinase Starlite/ChEMBL No references
Trypanosoma brucei gambiense phosphoglycerate kinase, putative No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Treponema pallidum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium berghei phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus granulosus phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium leprae Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum hypothetical protein Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii phosphoglycerate kinase PGKI Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma congolense phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Echinococcus multilocularis phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania major phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma cruzi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma mansoni phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Chlamydia trachomatis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania braziliensis PGKC, phosphoglycerate kinase C Get druggable targets OG5_126776 All targets in OG5_126776
Brugia malayi Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Giardia lamblia Phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Neospora caninum Phosphoglycerate kinase (EC 2.7.2.3), related Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium knowlesi phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium ulcerans phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Candida albicans 3-phosphoglycerate kinase similar to S. cerevisiae PGK1 (YCR012W) Get druggable targets OG5_126776 All targets in OG5_126776
Toxoplasma gondii phosphoglycerate kinase PGKII Get druggable targets OG5_126776 All targets in OG5_126776
Theileria parva phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium parvum phosphoglycerate kinase 1 Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium falciparum phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Trypanosoma brucei gambiense phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania donovani phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium vivax phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Entamoeba histolytica phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Schistosoma japonicum ko:K00927 phosphoglycerate kinase [EC2.7.2.3], putative Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania mexicana phosphoglycerate kinase B, cytosolic Get druggable targets OG5_126776 All targets in OG5_126776
Leishmania infantum phosphoglycerate kinase C, glycosomal Get druggable targets OG5_126776 All targets in OG5_126776
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk Get druggable targets OG5_126776 All targets in OG5_126776
Trichomonas vaginalis phosphoglycerate kinase, putative Get druggable targets OG5_126776 All targets in OG5_126776
Plasmodium yoelii phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Cryptosporidium hominis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
Babesia bovis phosphoglycerate kinase Get druggable targets OG5_126776 All targets in OG5_126776
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
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0028 0.0014 0.0014
Trypanosoma brucei aldo-keto reductase, putative 0.0097 0.3884 0.3884
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Schistosoma mansoni pol-related 0.0097 0.3884 0.3875
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0067 0.223 0.2219
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Trypanosoma brucei phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Loa Loa (eye worm) SRC-1 0.0067 0.223 0.223
Loa Loa (eye worm) oxidoreductase 0.0097 0.3884 0.3884
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0097 0.3884 0.3884
Leishmania major aldo-keto reductase-like protein 0.0097 0.3884 0.3884
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3723 0.3714
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Schistosoma mansoni tyrosine kinase 0.0067 0.223 0.2219
Brugia malayi jmjC domain containing protein 0.0062 0.1897 0.1897
Plasmodium falciparum aldehyde reductase, putative 0.0028 0.0014 0.0014
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0067 0.223 0.2219
Entamoeba histolytica aldose reductase, putative 0.0097 0.3884 0.3875
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0037 0.0507 0.0494
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Onchocerca volvulus 0.0097 0.3884 1
Echinococcus multilocularis aldo keto reductase 0.0097 0.3884 0.3875
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0067 0.223 0.2219
Brugia malayi Tyrosine-protein kinase abl-1 0.0037 0.0507 0.0507
Schistosoma mansoni growth factor receptor-bound protein 0.0155 0.7173 0.7169
Loa Loa (eye worm) TK protein kinase 0.0051 0.1299 0.1299
Brugia malayi NADH-dependent xylose reductase 0.0028 0.0014 0.0014
Brugia malayi jmjC domain containing protein 0.0062 0.1897 0.1897
Leishmania major prostaglandin f synthase, putative 0.0097 0.3884 0.3884
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Plasmodium vivax aldehyde reductase, putative 0.0028 0.0014 0.0014
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0067 0.223 0.2219
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1897 0.1885
Echinococcus multilocularis aldo keto reductase 0.0097 0.3884 0.3875
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.3723 0.3723
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.3723 0.3723
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus granulosus tyrosine protein kinase Src42A 0.0067 0.223 0.2219
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0097 0.3884 0.3875
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.2009 0.1998
Echinococcus granulosus tyrosine protein kinase HCK 0.0034 0.0344 0.033
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0097 0.3884 0.3875
Trypanosoma brucei phosphoglycerate kinase 0.0075 0.2681 0.2681
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2009 0.1998
Echinococcus granulosus aldo keto reductase 0.0097 0.3884 0.3875
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.1897 0.1885
Trypanosoma cruzi aldo-keto reductase 0.0097 0.3884 0.3884
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2009 0.1998
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Toxoplasma gondii aldose reductase, putative 0.0097 0.3884 0.3884
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.1897 0.1885
Trypanosoma brucei aldo/keto reductase, putative 0.0028 0.0014 0.0014
Schistosoma mansoni nck2/grb4 0.0034 0.0322 0.0308
Brugia malayi Variant SH3 domain containing protein 0.0034 0.0322 0.0322
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1897 0.1897
Schistosoma mansoni adapter molecule crk 0.0034 0.0322 0.0308
Echinococcus granulosus NCK adaptor protein 0.0034 0.0322 0.0308
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0097 0.3884 0.3884
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0028 0.0014 0.0014
Brugia malayi Sex muscle abnormal protein 5 0.0155 0.7173 0.7173
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3723 0.3714
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0097 0.3884 0.3884
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0097 0.3884 0.3884
Echinococcus multilocularis aldehyde reductase 0.0069 0.2306 0.2295
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0051 0.1299 0.1286
Mycobacterium leprae Conserved hypothetical protein 0.0069 0.2306 0.2295
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.3723 0.3714
Echinococcus granulosus aldo keto reductase 0.0097 0.3884 0.3875
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.2009 0.1998
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Onchocerca volvulus 0.0097 0.3884 1
Echinococcus multilocularis geminin 0.0187 0.8948 0.8947
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Schistosoma mansoni tyrosine kinase 0.0037 0.0507 0.0494
Echinococcus multilocularis tyrosine protein kinase Blk 0.0051 0.1299 0.1286
Brugia malayi SRC-1 0.0067 0.223 0.223
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0067 0.223 0.2219
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0028 0.0014 0.0014
Entamoeba histolytica protein kinase, putative 0.0034 0.0344 0.033
Onchocerca volvulus 0.0097 0.3884 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2009 0.1998
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.1897 0.1885
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0097 0.3884 0.3875
Loa Loa (eye worm) oxidoreductase 0.0097 0.3884 0.3884
Schistosoma mansoni tyrosine kinase 0.0037 0.0507 0.0494
Loa Loa (eye worm) hypothetical protein 0.0034 0.0322 0.0322
Schistosoma mansoni hypothetical protein 0.0187 0.8948 0.8947
Plasmodium falciparum aldo-keto reductase, putative 0.0028 0.0014 0.0014
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.1897 0.1885
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0067 0.223 0.2219
Schistosoma mansoni growth factor receptor-bound protein 0.0155 0.7173 0.7169
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3723 0.3714
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus granulosus tyrosine protein kinase Blk 0.0051 0.1299 0.1286
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.2009 0.2009
Echinococcus granulosus hypothetical protein 0.0097 0.3884 0.3875
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.3723 0.3714
Loa Loa (eye worm) hypothetical protein 0.0097 0.3884 0.3884
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.2009 0.1998
Onchocerca volvulus 0.0097 0.3884 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0037 0.0507 0.0494
Echinococcus granulosus aldo keto reductase 0.0097 0.3884 0.3875
Brugia malayi Variant SH3 domain containing protein 0.0034 0.0322 0.0322
Entamoeba histolytica aldose reductase, putative 0.0097 0.3884 0.3875
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0028 0.0014 0.0014
Echinococcus granulosus aldehyde reductase 0.0069 0.2306 0.2295
Trypanosoma cruzi aldo/keto reductase, putative 0.0028 0.0014 0.0014
Trichomonas vaginalis aldo/keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Echinococcus multilocularis aldo keto reductase 0.0097 0.3884 0.3875
Schistosoma mansoni aldo-keto reductase 0.0097 0.3884 0.3875
Onchocerca volvulus 0.0097 0.3884 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus granulosus c src tyrosine kinase 0.0037 0.0507 0.0494
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0067 0.223 0.2219
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0067 0.223 0.2219
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0037 0.0507 0.0494
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Schistosoma mansoni hypothetical protein 0.0187 0.8948 0.8947
Entamoeba histolytica aldose reductase, putative 0.0097 0.3884 0.3875
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0097 0.3884 0.3875
Loa Loa (eye worm) oxidoreductase 0.0097 0.3884 0.3884
Schistosoma mansoni tyrosine kinase 0.0067 0.223 0.2219
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.3884 0.3875
Echinococcus granulosus tyrosine protein kinase Src64B 0.0067 0.223 0.2219
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0155 0.7173 0.7173
Echinococcus multilocularis tyrosine protein kinase Srms 0.0051 0.1299 0.1286
Echinococcus multilocularis aldo keto reductase 0.0097 0.3884 0.3875
Echinococcus granulosus tyrosine protein kinase Src42A 0.0048 0.1114 0.1101
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Brugia malayi protein-tyrosine kinase 0.0051 0.1299 0.1299
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.2009 0.1998
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3723 0.3714
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0097 0.3884 0.3884
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.2009 0.1998
Schistosoma mansoni aldo-keto reductase 0.0097 0.3884 0.3875
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0075 0.2681 0.2681
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0028 0.0014 0.0014
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0097 0.3884 0.3884
Echinococcus multilocularis tyrosine protein kinase HCK 0.0034 0.0344 0.033
Loa Loa (eye worm) TK protein kinase 0.0034 0.0344 0.0344
Toxoplasma gondii aldo-keto reductase 0.0028 0.0014 0.0014
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Trichomonas vaginalis aldo/keto reductase, putative 0.0097 0.3884 0.3875
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus granulosus growth factor receptor bound protein 2 0.0155 0.7173 0.7169
Echinococcus multilocularis c src tyrosine kinase 0.0037 0.0507 0.0494
Trypanosoma cruzi aldo/keto reductase, putative 0.0097 0.3884 0.3884
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0075 0.2681 0.2681
Echinococcus granulosus tyrosine kinase 0.0051 0.1299 0.1286
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0034 0.0322 0.0308
Echinococcus granulosus tyrosine protein kinase Lyn 0.0067 0.223 0.2219
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0051 0.1299 0.1286
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.2009 0.2009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.3723 0.3714
Mycobacterium ulcerans oxidoreductase 0.0097 0.3884 0.3875
Loa Loa (eye worm) oxidoreductase 0.0097 0.3884 0.3884
Loa Loa (eye worm) oxidoreductase 0.0097 0.3884 0.3884
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0028 0.0014 0.0014
Trypanosoma brucei prostaglandin f synthase 0.0097 0.3884 0.3884
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0048 0.1114 0.1101
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Echinococcus granulosus tyrosine protein kinase Fyn 0.0067 0.223 0.2219
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.1897 0.1885
Schistosoma mansoni jumonji domain containing protein 0.0062 0.1897 0.1885
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus multilocularis growth factor receptor bound protein 2 0.0155 0.7173 0.7169
Trichomonas vaginalis aldo/keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0097 0.3884 0.3875
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0034 0.0322 0.0322
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Echinococcus granulosus geminin 0.0187 0.8948 0.8947
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0097 0.3884 0.3875
Trichomonas vaginalis aldo-keto reductase, putative 0.0097 0.3884 0.3875
Onchocerca volvulus 0.0097 0.3884 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0037 0.0507 0.0494
Brugia malayi Phosphoglycerate kinase 0.0075 0.2681 0.2681
Echinococcus multilocularis NCK adaptor protein 0.0034 0.0322 0.0308

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of Phosphoglycerate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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