Detailed information for compound 1518331

Basic information

Technical information
  • TDR Targets ID: 1518331
  • Name: 8-bromo-3-(2-morpholin-4-ylethylsulfanyl)-5H- [1,2,4]triazino[5,6-b]indole hydrochloride
  • MW: 430.75 | Formula: C15H17BrClN5OS
  • H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc2c(c1)c1nnc(nc1[nH]2)SCCN1CCOCC1.Cl
  • InChi: 1S/C15H16BrN5OS.ClH/c16-10-1-2-12-11(9-10)13-14(17-12)18-15(20-19-13)23-8-5-21-3-6-22-7-4-21;/h1-2,9H,3-8H2,(H,17,18,20);1H
  • InChiKey: CJLQZPSXTQKTIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-bromo-3-(2-morpholinoethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole hydrochloride
  • 8-bromo-3-(2-morpholinoethylthio)-5H-[1,2,4]triazino[5,6-b]indole hydrochloride
  • 8-bromo-3-[(2-morpholin-4-ylethyl)thio]-5H-[1,2,4]triazino[5,6-b]indole
  • MLS000047707
  • SMR000033716

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein 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 isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, 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
Neospora caninum Isocitrate dehydrogenase-like protein, related 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica acyl-coA synthetase, putative 0.0081 0.0624 0.2382
Echinococcus multilocularis dna polymerase eta 0.0021 0.0062 0.0019
Giardia lamblia Farnesyl diphosphate synthase 0.1072 1 1
Echinococcus granulosus dna polymerase eta 0.0021 0.0062 0.0019
Mycobacterium ulcerans acyl-CoA synthetase 0.0081 0.0624 0.0565
Brugia malayi Polyprenyl synthetase family protein 0.0271 0.242 0.2397
Leishmania major pyruvate kinase 0.0038 0.0226 0.0184
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0271 0.242 0.5
Brugia malayi isocitrate dehydrogenase 0.0019 0.0043 0.0012
Trypanosoma brucei pyruvate kinase 1 0.0038 0.0226 0.0226
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0048 0.0313 0.0271
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0359 0.0299
Loa Loa (eye worm) polyprenyl synthetase 0.0271 0.242 0.2388
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0024 0.0086 0.0043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.0921 0.0893
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1072 1 1
Echinococcus multilocularis protein dispatched 1 0.0056 0.0387 0.0346
Schistosoma mansoni glutathione synthetase 0.0271 0.242 0.2388
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0123 0.0081
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0691 0.6398 0.6382
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0024 0.0086 0.0055
Mycobacterium ulcerans acyl-CoA synthetase 0.0081 0.0624 0.0565
Loa Loa (eye worm) hypothetical protein 0.0027 0.0116 0.0073
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0024 0.0086 0.0043
Loa Loa (eye worm) hypothetical protein 0.0081 0.0624 0.0584
Echinococcus granulosus pyruvate kinase 0.002 0.0049 0.0006
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0062 0.0062
Echinococcus multilocularis pyruvate kinase 0.0038 0.0226 0.0184
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0024 0.0086 0.0024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0934 0.8692 0.8686
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0062 0.0019
Plasmodium vivax acyl-CoA synthetase, putative 0.006 0.0431 0.039
Echinococcus granulosus GPCR family 2 0.0035 0.0197 0.0155
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.04 0.0359
Giardia lamblia DINP protein human, muc B family 0.0021 0.0062 0.0013
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0254 0.0212
Entamoeba histolytica Ran family GTPase 0.0048 0.0313 0.1064
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0254 0.0212
Loa Loa (eye worm) hypothetical protein 0.0077 0.0586 0.0545
Echinococcus granulosus dna polymerase kappa 0.0021 0.0062 0.0019
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0155
Loa Loa (eye worm) oxidoreductase 0.0024 0.0086 0.0043
Mycobacterium ulcerans hypothetical protein 0.0081 0.0624 0.0565
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0062 0.0062
Schistosoma mansoni patched 1 0.0049 0.0322 0.0281
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.006 0.0431 0.039
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0024 0.0086 0.0024
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0123 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0197 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Echinococcus multilocularis acetylcholinesterase 0.0068 0.0503 0.0462
Echinococcus multilocularis thyroid hormone receptor alpha 0.013 0.109 0.1051
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0322 0.0281
Schistosoma mansoni hypothetical protein 0.0691 0.6398 0.6382
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1072 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0086 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.0921 0.0882
Loa Loa (eye worm) hypothetical protein 0.0068 0.0503 0.0462
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0226 0.0165
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0475 0.0475
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0081 0.0624 0.0584
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0024 0.0086 0.0024
Echinococcus granulosus GTP binding nuclear protein Ran 0.0048 0.0313 0.0271
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0271 0.242 0.2388
Loa Loa (eye worm) hypothetical protein 0.0068 0.0503 0.0462
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0062 0.0019
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0271 0.242 0.2388
Leishmania major DNA polymerase eta, putative 0.0021 0.0062 0.0019
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1072 1 1
Schistosoma mansoni hypothetical protein 0.0047 0.0306 0.0264
Trypanosoma brucei unspecified product 0.0021 0.0062 0.0062
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0048 0.0313 0.0271
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0024 0.0086 0.0043
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0322 0.0281
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0024 0.0086 0.0102
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1072 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0024 0.0086 0.0086
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0038 0.0226 0.0184
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0062 0.0019
Loa Loa (eye worm) hypothetical protein 0.006 0.0431 0.039
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1072 1 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0024 0.0086 0.0024
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0271 0.242 1
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0024 0.0086 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0086 0.0055
Schistosoma mansoni gabp alpha 0.0079 0.0611 0.0571
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0062 0.0031
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.04 0.0359
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1072 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0934 0.0895
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0226 0.2596
Trypanosoma cruzi polyprenyl synthase, putative 0.0271 0.242 0.2388
Schistosoma mansoni hypothetical protein 0.012 0.0999 0.096
Mycobacterium ulcerans acetyl-CoA synthetase 0.0024 0.0086 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0081 0.0624 0.0595
Entamoeba histolytica hypothetical protein 0.0052 0.0359 0.1258
Entamoeba histolytica hypothetical protein 0.0041 0.0254 0.0815
Schistosoma mansoni ran 0.0048 0.0313 0.0271
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1072 1 1
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0271 0.242 0.2397
Trypanosoma brucei pyruvate kinase 1, putative 0.0038 0.0226 0.0226
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0271 0.242 0.2388
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0024 0.0086 0.0043
Treponema pallidum octaprenyl-diphosphate synthase 0.0271 0.242 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0123 0.0081
Brugia malayi RNA, U transporter 1 0.0184 0.1603 0.1577
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0047 0.0306 0.0264
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0271 0.242 0.2388
Echinococcus multilocularis protein patched 0.0049 0.0322 0.0281
Giardia lamblia Pyruvate kinase 0.0038 0.0226 0.0178
Plasmodium vivax pyruvate kinase 2, putative 0.002 0.0049 0.0006
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0024 0.0086 0.0086
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0197 0.0155
Entamoeba histolytica hypothetical protein 0.0041 0.0254 0.0815
Echinococcus granulosus Niemann Pick C1 protein 0.0162 0.1394 0.1357
Brugia malayi Pyruvate kinase, muscle isozyme 0.0038 0.0226 0.0196
Schistosoma mansoni ran 0.0048 0.0313 0.0271
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0313 0.0271
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.04 0.0359
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1072 1 1
Brugia malayi Importin beta-1 subunit 0.0065 0.0475 0.0445
Brugia malayi hypothetical protein 0.0028 0.0123 0.0093
Echinococcus multilocularis pyruvate kinase 0.002 0.0049 0.0006
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0934 0.0907
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0024 0.0086 0.0024
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0024 0.0086 0.0043
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0024 0.0086 0.0055
Toxoplasma gondii pyruvate kinase PyKII 0.002 0.0049 0.0006
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0271 0.242 0.2388
Brugia malayi Ets-domain containing protein 0.0079 0.0611 0.0582
Leishmania major polyprenyl synthase, putative 0.0271 0.242 0.2388
Loa Loa (eye worm) acetylcholinesterase 1 0.0068 0.0503 0.0462
Schistosoma mansoni hypothetical protein 0.0047 0.0306 0.0264
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0359 0.0299
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0155
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0048 0.0313 0.0313
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1226 0.1188
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0271 0.242 0.2388
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0322 0.0262
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0024 0.0086 0.0043
Echinococcus multilocularis pyruvate kinase 0.002 0.0049 0.0006
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0024 0.0086 0.0043
Schistosoma mansoni pyruvate kinase 0.002 0.0049 0.0006
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0322 0.0281
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.0951 0.0912
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0226 0.0184
Loa Loa (eye worm) fli-1 protein 0.024 0.2136 0.2102
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0155
Echinococcus multilocularis GA binding protein alpha chain 0.0079 0.0611 0.0571
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.006 0.0431 0.0937
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1072 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.0586 0.0557
Leishmania major 4-coumarate:coa ligase-like protein 0.0081 0.0624 0.0584
Echinococcus granulosus carboxylesterase 5A 0.0068 0.0503 0.0462
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0047 0.0306 0.0264
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0062 0.0019
Echinococcus multilocularis pyruvate kinase 0.003 0.0149 0.0107
Schistosoma mansoni acetyl-CoA synthetase 0.0024 0.0086 0.0043
Brugia malayi Fli-1 protein 0.024 0.2136 0.2112
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0081 0.0624 0.0565
Brugia malayi CHE-14 protein 0.0049 0.0322 0.0293
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0226 0.2596
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Echinococcus multilocularis pyruvate kinase 0.0038 0.0226 0.0184
Mycobacterium ulcerans acyl-CoA synthetase 0.0081 0.0624 0.0565
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0271 0.242 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0062 0.0031
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0271 0.242 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0197 0.0167
Loa Loa (eye worm) hypothetical protein 0.006 0.0426 0.0385
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0226 0.0184
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0048 0.0313 0.0283
Echinococcus multilocularis GPCR, family 2 0.0035 0.0197 0.0155
Leishmania major importin beta-1 subunit, putative 0.0052 0.0359 0.0317
Schistosoma mansoni hypothetical protein 0.0077 0.0586 0.0545
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0322 0.0281
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0062 0.0019
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.002 0.0055 0.0012
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1226 0.1188
Schistosoma mansoni DNA polymerase eta 0.0021 0.0062 0.0019
Loa Loa (eye worm) hypothetical protein 0.0024 0.0086 0.0043
Mycobacterium ulcerans fatty-acid-CoA ligase 0.006 0.0431 0.0372
Trypanosoma brucei importin beta-1 subunit, putative 0.0065 0.0475 0.0475
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0271 0.242 0.2388
Echinococcus granulosus pyruvate kinase 0.002 0.0049 0.0006
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0062 0.0019
Trichomonas vaginalis antibiotic synthetase, putative 0.0024 0.0086 0.0024
Schistosoma mansoni ets-related 0.024 0.2136 0.2102
Loa Loa (eye worm) polyprenyl synthetase 0.1072 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.012 0.0999 0.096
Brugia malayi AMP-binding enzyme family protein 0.0081 0.0624 0.0595
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1072 1 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0271 0.242 0.2388
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0081 0.0624 0.0565
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.0921 0.0893
Echinococcus multilocularis carboxylesterase 5A 0.0068 0.0503 0.0462
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0048 0.0313 0.0265
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0024 0.0086 0.0024
Echinococcus granulosus importin subunit beta 1 0.0065 0.0475 0.0434
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0123 0.0081
Plasmodium falciparum pyruvate kinase 0.0038 0.0226 0.0184
Trichomonas vaginalis ran, putative 0.0048 0.0313 0.0253
Plasmodium falciparum acyl-CoA synthetase 0.006 0.0431 0.039
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0024 0.0086 0.0043
Echinococcus multilocularis importin subunit beta 1 0.0065 0.0475 0.0434
Loa Loa (eye worm) hypothetical protein 0.0028 0.0123 0.0081
Schistosoma mansoni thyroid hormone receptor 0.013 0.109 0.1051
Echinococcus multilocularis snurportin 1 0.0691 0.6398 0.6382
Trypanosoma cruzi importin beta-1 subunit, putative 0.0052 0.0359 0.0317
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0057 0.04 0.0359
Echinococcus granulosus expressed conserved protein 0.0107 0.0869 0.083
Echinococcus multilocularis acetylcholinesterase 0.0068 0.0503 0.0462
Loa Loa (eye worm) hypothetical protein 0.0113 0.0934 0.0895
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0271 0.242 0.2388
Loa Loa (eye worm) hypothetical protein 0.0112 0.0921 0.0882
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0086 0.0043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0197 0.0155
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0062 0.0019
Brugia malayi Carboxylesterase family protein 0.0068 0.0503 0.0474
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0197 0.0155
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0155
Echinococcus granulosus GA binding protein alpha chain 0.0079 0.0611 0.0571
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.006 0.0431 0.039
Toxoplasma gondii propionate-CoA ligase 0.0024 0.0086 0.0043
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0271 0.242 0.242
Brugia malayi MH2 domain containing protein 0.0144 0.1226 0.1199
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0024 0.0086 0.0043
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0271 0.242 0.2388
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0024 0.0086 0.0043
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0081 0.0624 0.0565
Brugia malayi Ets-domain containing protein 0.0079 0.0611 0.0582
Loa Loa (eye worm) hypothetical protein 0.0021 0.0062 0.0019
Leishmania major DNA polymerase kappa, putative 0.0021 0.0062 0.0019
Mycobacterium leprae Probable pyruvate kinase PykA 0.0038 0.0226 0.0598
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0086 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0049 0.0322 0.0281
Onchocerca volvulus 0.0081 0.0624 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0086 0.0024
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0086 0.0043
Schistosoma mansoni thyroid hormone receptor 0.013 0.109 0.1051
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0048 0.0313 0.0271
Echinococcus granulosus pyruvate kinase 0.002 0.0049 0.0006
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0062 0.0019
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0081 0.0624 0.2304
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0043 0.0012
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0155
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Echinococcus granulosus snurportin 1 0.0691 0.6398 0.6382
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0048 0.0313 0.0271
Plasmodium falciparum importin beta, putative 0.0065 0.0475 0.0434
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0271 0.242 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0038 0.0226 0.0184
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0086 0.0043
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0024 0.0086 0.0043
Loa Loa (eye worm) hypothetical protein 0.006 0.0431 0.039
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0079 0.0611 0.0571
Plasmodium vivax importin-beta 2, putative 0.0065 0.0475 0.0434
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0024 0.0086 0.0043
Plasmodium falciparum pyruvate kinase 2 0.002 0.0049 0.0006
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0934 0.0895
Toxoplasma gondii HEAT repeat-containing protein 0.0065 0.0475 0.0434
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.012 0.0999 0.096
Loa Loa (eye worm) hypothetical protein 0.0068 0.0503 0.0462
Loa Loa (eye worm) hypothetical protein 0.0038 0.0226 0.0184
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1072 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0062 0.0019
Loa Loa (eye worm) pyruvate kinase-PB 0.0027 0.0116 0.0073
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0271 0.242 0.2388
Leishmania major acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0048 0.0313 0.0271
Brugia malayi hypothetical protein 0.0041 0.0254 0.0224
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0024 0.0086 0.0024
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0271 0.242 1
Leishmania major hypothetical protein, conserved 0.0028 0.0123 0.0081
Schistosoma mansoni trans-prenyltransferase 0.0271 0.242 0.2388
Leishmania major 4-coumarate:coa ligase-like protein 0.0081 0.0624 0.0584
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0081 0.0624 0.2304
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0934 0.3699
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0271 0.242 0.2388
Loa Loa (eye worm) hypothetical protein 0.006 0.0431 0.039
Brugia malayi AMP-binding enzyme family protein 0.0081 0.0624 0.0595
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0043 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0254 0.0212
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0197 0.0155
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1072 1 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0271 0.242 0.2388
Loa Loa (eye worm) carboxylesterase 0.0068 0.0503 0.0462
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0271 0.242 0.2388
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0062 0.0062
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0062 0.0062
Echinococcus granulosus acetylcholinesterase 0.0068 0.0503 0.0462
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0271 0.242 0.2388
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0271 0.242 0.2373
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0024 0.0086 0.0043
Loa Loa (eye worm) hypothetical protein 0.006 0.0431 0.039
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0086 0.0055
Entamoeba histolytica hypothetical protein 0.0041 0.0254 0.0815
Schistosoma mansoni importin beta-1 0.0065 0.0475 0.0434
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0086 0.0055
Loa Loa (eye worm) hypothetical protein 0.0081 0.0624 0.0584
Leishmania major acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Entamoeba histolytica acyl-CoA synthetase, putative 0.0081 0.0624 0.2382
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0271 0.242 0.2388
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0197 0.0155
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0271 0.242 0.2388
Echinococcus granulosus pyruvate kinase 0.0038 0.0226 0.0184
Trypanosoma cruzi polyprenyl synthase, putative 0.0271 0.242 0.2388
Trichomonas vaginalis importin beta-1, putative 0.0052 0.0359 0.0299
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0226 0.0184
Brugia malayi Carboxylesterase family protein 0.0068 0.0503 0.0474
Echinococcus granulosus acetylcholinesterase 0.0068 0.0503 0.0462
Entamoeba histolytica pyruvate kinase, putative 0.0027 0.0116 0.0228
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.0503 0.0462
Echinococcus multilocularis pyruvate kinase 0.002 0.0049 0.0006
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0123 0.0081
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0271 0.242 0.2388
Loa Loa (eye worm) hypothetical protein 0.0065 0.0475 0.0434
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0062 0.0019
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1072 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0254 0.0212
Plasmodium vivax acetyl-CoA synthetase, putative 0.0024 0.0086 0.0043
Schistosoma mansoni pyruvate kinase 0.0038 0.0226 0.0184
Mycobacterium ulcerans pyruvate kinase 0.0038 0.0226 0.0165
Echinococcus granulosus pyruvate kinase 0.0038 0.0226 0.0184
Leishmania major 4-coumarate:coa ligase-like protein 0.0081 0.0624 0.0584
Leishmania major farnesyl pyrophosphate synthase 0.1072 1 1
Leishmania major pyruvate kinase 0.0038 0.0226 0.0184
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0048 0.0313 0.0271
Echinococcus multilocularis Niemann Pick C1 protein 0.0162 0.1394 0.1357
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0024 0.0086 0.0024
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0024 0.0086 0.0043
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0081 0.0624 0.0584
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0062 0.0019
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1072 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0123 0.0081
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0062 0.0019
Toxoplasma gondii pyruvate kinase PyK1 0.0038 0.0226 0.0184
Brugia malayi Pyruvate kinase, M2 isozyme 0.0038 0.0226 0.0196
Trichomonas vaginalis pyruvate kinase, putative 0.0038 0.0226 0.0165
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1072 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0081 0.0624 0.0565
Loa Loa (eye worm) hypothetical protein 0.0081 0.0624 0.0584
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0024 0.0086 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0062 0.0019
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0271 0.242 0.2373
Loa Loa (eye worm) hypothetical protein 0.0024 0.0086 0.0043
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0226 0.0184
Entamoeba histolytica acyl-CoA synthetase, putative 0.0081 0.0624 0.2382
Echinococcus multilocularis expressed conserved protein 0.0107 0.0869 0.083
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0043 0.0043
Onchocerca volvulus Pyruvate kinase homolog 0.0038 0.0226 0.2596
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0086 0.0024
Leishmania major GTP-binding protein, putative 0.0048 0.0313 0.0271
Schistosoma mansoni pyruvate kinase 0.0038 0.0226 0.0184
Entamoeba histolytica hypothetical protein 0.0041 0.0254 0.0815
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0062 0.0019
Plasmodium vivax pyruvate kinase, putative 0.0038 0.0226 0.0184
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0271 0.242 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.3096 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) 11.5821 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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