Detailed information for compound 1515860

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.426 | Formula: C16H16O4S2
  • H donors: 0 H acceptors: 4 LogP: 2.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)C=CS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C16H16O4S2/c1-13-3-7-15(8-4-13)21(17,18)11-12-22(19,20)16-9-5-14(2)6-10-16/h3-12H,1-2H3
  • InChiKey: ONVBDYWGWKUWMH-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens toll-like receptor 9 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Starlite/ChEMBL No references
Saccharomyces cerevisiae H(+)-transporting V0 sector ATPase subunit c' Starlite/ChEMBL No references
Pseudomonas aeruginosa Beta Lactamase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis vacuolar type h ATPase subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma mansoni vacuolar ATP synthase proteolipid subunit 1 2 3 Get druggable targets OG5_126803 All targets in OG5_126803
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) vacuolar ATP synthase proteolipid subunit Get druggable targets OG5_126803 All targets in OG5_126803
Giardia lamblia Vacuolar ATP synthase 16 kDa proteolipid subunit Get druggable targets OG5_126803 All targets in OG5_126803
Plasmodium yoelii V-type ATPase, C subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus granulosus Vacuolar ATP synthase 16 kDa proteolipid Get druggable targets OG5_126803 All targets in OG5_126803
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase, 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva vacuolar ATPase subunit Get druggable targets OG5_126803 All targets in OG5_126803
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus multilocularis Vacuolar ATP synthase 16 kDa proteolipid Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei vacuolar ATP synthase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Cryptosporidium hominis vacuolar ATP synthetase Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Treponema pallidum glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Class a beta-lactamase BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Leishmania mexicana vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Giardia lamblia Vacuolar ATP synthase 16 kDa proteolipid subunit Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania braziliensis glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma japonicum similar to Vacuolar ATP synthase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Neospora caninum hypothetical protein Get druggable targets OG5_126803 All targets in OG5_126803
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Plasmodium falciparum V-type proton ATPase 16 kDa proteolipid subunit Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania major vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma japonicum ko:K02155 V-type H+-transporting ATPase 16kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Plasmodium knowlesi V-type proton ATPase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania major vacuolar type h ATPase subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Babesia bovis glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase Get druggable targets OG5_127121 All targets in OG5_127121
Brugia malayi Vacuolar ATP synthase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax V-type proton ATPase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Trypanosoma congolense vacuolar ATP synthase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum vacuolar ATP synthetase subunit Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania mexicana vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma japonicum ko:K00036 glucose-6-phosphate 1-dehydrogenase [EC1.1.1.49], putative Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei V-type proton ATPase 16 kDa proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania infantum vacuolar type h ATPase subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania mexicana vacuolar type h ATPase subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans vacuolar ATPase subunit c, identical to C.tropicalis Vma3p (AAA03446) Get druggable targets OG5_126803 All targets in OG5_126803
Candida albicans hydrogen-transporting ATPase Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans hypothetical protein Get druggable targets OG5_126803 All targets in OG5_126803
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis vacuolar ATP synthase proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis vacuolar ATP synthase proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Plasmodium yoelii Glucose-6-phosphate dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans ATP synthase subunit C Get druggable targets OG5_126803 All targets in OG5_126803
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans class a beta-lactamase, BlaC Get druggable targets OG5_143180 All targets in OG5_143180
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Vacuolar ATP synthase 16 kDa proteolipid Get druggable targets OG5_126803 All targets in OG5_126803
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis vacuolar ATP synthase proteolipid subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus Vacuolar ATP synthase 16 kDa proteolipid Get druggable targets OG5_126803 All targets in OG5_126803
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis proteolipid subunit c, putative Get druggable targets OG5_126803 All targets in OG5_126803
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) Get druggable targets OG5_127121 All targets in OG5_127121
Entamoeba histolytica V-type ATPase, C subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani vacuolar type h+ ATPase subunit, putative Get druggable targets OG5_126803 All targets in OG5_126803
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma brucei gambiense vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans vacuolar ATPase subunit c, identical to C.tropicalis Vma3p (AAA03446) Get druggable targets OG5_126803 All targets in OG5_126803
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans likely glucose-6-phosphate dehydrogenase similar to S. cerevisiae ZWF1 (YNL241C) Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania infantum vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative 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
Brugia malayi glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Cryptosporidium parvum vacuolar ATP synthase subunit, possible signal peptide Get druggable targets OG5_126803 All targets in OG5_126803
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Leishmania braziliensis vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani glucose-6-phosphate 1-dehydrogenase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni vacuolar ATP synthase proteolipid subunit 1 2 3 Get druggable targets OG5_126803 All targets in OG5_126803
Trichomonas vaginalis vacuolar ATP synthase proteolipid subunit 1, 2, 3, putative Get druggable targets OG5_126803 All targets in OG5_126803
Trichomonas vaginalis 6-phosphogluconolactonase, putative Get druggable targets OG5_127121 All targets in OG5_127121
Cryptosporidium hominis vacuolar ATP synthase 16 kDa proteolipid subunit (V-ATPase 16 kDa proteolipid subunit) Get druggable targets OG5_126803 All targets in OG5_126803
Trypanosoma brucei vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana glucose-6-phosphate dehydrogenase Get druggable targets OG5_127121 All targets in OG5_127121
Neospora caninum Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49), related Get druggable targets OG5_127121 All targets in OG5_127121
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense vacuolar ATP synthase, putative Get druggable targets OG5_126803 All targets in OG5_126803
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2899 0.2891
Leishmania major vacuolar ATP synthase, putative 0.0021 0.059 0.0211
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4337 0.6258
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0113 0.6778 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0455 0.054
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.6778 0.9846
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.6877 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.6877 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0455 0.054
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2102 0.2967
Mycobacterium ulcerans lipoprotein LpqF 0.0077 0.4366 0.039
Entamoeba histolytica hypothetical protein 0.0043 0.2102 0.2405
Echinococcus granulosus tar DNA binding protein 0.0076 0.4337 0.6258
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.6877 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2899 0.4141
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0036 0.1614 0.1806
Entamoeba histolytica hypothetical protein 0.0043 0.2102 0.2405
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2899 0.2891
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0455 0.054
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4337 0.6258
Trypanosoma cruzi vacuolar ATP synthase, putative 0.0021 0.059 0.0211
Brugia malayi MH2 domain containing protein 0.0144 0.8912 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0123 0.7456 1
Brugia malayi RNA binding protein 0.0076 0.4337 0.459
Trypanosoma cruzi vacuolar ATP synthase, putative 0.0021 0.059 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2899 0.4141
Trypanosoma brucei vacuolar ATP synthase, putative 0.0021 0.059 0.0211
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0113 0.6778 0.9855
Entamoeba histolytica hypothetical protein 0.0043 0.2102 0.2405
Loa Loa (eye worm) hypothetical protein 0.003 0.1223 0.0908
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4337 0.6258
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2102 0.2967
Brugia malayi glucose-6-phosphate dehydrogenase 0.0113 0.6778 0.7477
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0123 0.7456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2899 0.4141
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1223 0.1196
Brugia malayi Vacuolar ATP synthase 16 kDa proteolipid subunit, putative 0.0021 0.059 0.016
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.6877 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0074 0.4137 0.526
Echinococcus multilocularis Vacuolar ATP synthase 16 kDa proteolipid 0.0021 0.059 0.074
Schistosoma mansoni kinase 0.0058 0.3084 0.4414
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.6877 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.1223 0.1097
Trypanosoma brucei vacuolar ATP synthase 16 kDa proteolipid subunit, putative 0.0021 0.059 0.0211
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Schistosoma mansoni hypothetical protein 0.0043 0.2102 0.2967
Schistosoma mansoni vacuolar ATP synthase proteolipid subunit 1 2 3 0.0021 0.059 0.074
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1223 0.1196
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0113 0.6778 0.9855
Schistosoma mansoni vacuolar ATP synthase proteolipid subunit 1 2 3 0.0021 0.059 0.074
Giardia lamblia Kinase, PLK 0.0114 0.6877 0.9157
Loa Loa (eye worm) RNA binding protein 0.0076 0.4337 0.459
Trypanosoma brucei beta lactamase 0.0077 0.4366 0.609
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0123 0.7456 1
Leishmania major hypothetical protein, conserved 0.003 0.1223 0.1196
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4337 0.459
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2102 0.2967
Echinococcus granulosus Vacuolar ATP synthase 16 kDa proteolipid 0.0021 0.059 0.074
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4337 0.459
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0455 0.054
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.6877 0.7594
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8912 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2899 0.4141
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4337 0.6258
Echinococcus multilocularis Vacuolar ATP synthase 16 kDa proteolipid 0.0021 0.059 0.074
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2899 0.4141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2899 0.4141
Entamoeba histolytica hypothetical protein 0.0043 0.2102 0.2405
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2982 0.3485
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0077 0.4366 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1223 0.1097
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.7456 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.6877 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0039 0.1806 0.1416
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.6877 0.9157
Echinococcus granulosus Vacuolar ATP synthase 16 kDa proteolipid 0.0021 0.059 0.074
Brugia malayi TAR-binding protein 0.0076 0.4337 0.459
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0113 0.6778 0.4505
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1223 0.1097
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0123 0.7456 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0037 0.1687 0.192
Plasmodium vivax V-type proton ATPase 16 kDa proteolipid subunit, putative 0.0021 0.059 0.0193
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0113 0.6778 0.5
Trypanosoma brucei polo-like protein kinase 0.0114 0.6877 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2899 0.4141
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0455 0.054
Loa Loa (eye worm) vacuolar ATP synthase proteolipid subunit 0.0021 0.059 0.016
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0113 0.6778 0.9846
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0123 0.7456 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.6877 0.7594
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0077 0.4366 0.4097
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4337 0.6258
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4337 0.459
Leishmania major vacuolar ATP synthase, putative 0.0021 0.059 0.0211
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1223 0.1097
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1223 0.1196
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0455 0.054
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0455 0.054
Leishmania major vacuolar type h ATPase subunit, putative 0.0021 0.059 0.0211
Brugia malayi hypothetical protein 0.003 0.1223 0.0908
Plasmodium falciparum V-type proton ATPase 16 kDa proteolipid subunit 0.0021 0.059 0.0193
Brugia malayi hypothetical protein 0.002 0.0493 0.0046
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0113 0.6778 0.7477
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4337 0.6258
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.6877 1
Brugia malayi hypothetical protein 0.0043 0.2102 0.1948
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.6877 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8912 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.2982 0.3485
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0113 0.6778 0.9855
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0123 0.7456 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0113 0.6778 0.9846

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 3.913 uM PUBCHEM_BIOASSAY: Dose Response of Small Molecules that Regulate V-ATPase Proton Transport in Yeast using pHLuorin, Cherry Pick 2. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 6.65 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (binding) = 8.542 uM PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
IC50 (binding) = 13.616 uM PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251] ChEMBL. No reference
IC50 (functional) = 33.6 uM PUBCHEM_BIOASSAY: Dose Response orthogonal assay utilizing the direct end-point detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) = 41.2 uM PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct detection of NADPH for uHTS small molecule inhibitors of Plasmodium falciparum Glucose-6-phosphate dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
IC50 (functional) > 80 uM PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696] ChEMBL. No reference
Potency (functional) 0.3793 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 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) 18.3564 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 for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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