Detailed information for compound 1369520

Basic information

Technical information
  • TDR Targets ID: 1369520
  • Name: 5-acetyl-6-methyl-2-(phenylmethylsulfanyl)pyr idine-3-carbonitrile
  • MW: 282.36 | Formula: C16H14N2OS
  • H donors: 0 H acceptors: 3 LogP: 2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(C(=O)C)c(nc1SCc1ccccc1)C
  • InChi: 1S/C16H14N2OS/c1-11-15(12(2)19)8-14(9-17)16(18-11)20-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
  • InChiKey: FDMKMPPVHACAIP-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 5-acetyl-6-methyl-2-(phenylmethylthio)-3-pyridinecarbonitrile
  • 5-acetyl-2-(benzylthio)-6-methyl-nicotinonitrile
  • 5-ethanoyl-6-methyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile
  • 5-Acetyl-2-benzylsulfanyl-6-methyl-nicotinonitrile
  • SMR000140846
  • A3082/0130386
  • EU-0076262
  • 5-acetyl-2-(benzylthio)-6-methylnicotinonitrile
  • MLS000533348
  • ZINC00115201

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum similar to Heat shock 70 kDa protein homolog, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
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
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium knowlesi heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium vivax heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Giardia lamblia Cytosolic HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans Cytoplasmic chaperone Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70kD, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi heat shock 70 kDa protein C precursor Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei gambiense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania braziliensis heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Heat shock protein 70, related Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
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
Toxoplasma gondii heat shock protein HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock kda protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii chaperonin protein BiP Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Theileria parva heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis heat shock protein 70 precursor Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Babesia bovis heat shock protein 70 precursor, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis microsomal stress 70 protein ATPase core precursor, putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70 family Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Theileria parva heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium parvum heat shock 70 (HSP70) protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma cruzi heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium knowlesi heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum similar to Heat shock 70 kDa protein cognate 4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
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
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock protein 70 (HSP70) Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock 70 kda protein 1a Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium yoelii heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis heat shock protein 70kD, putative Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70 family Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae KAR2 (YJL034W) HSP70/ BiP family ATPase and chaperone involved in translocation of nascent polypeptides Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock kda protein Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium berghei heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei gambiense glucose-regulated protein 78, putative,luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma cruzi glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Schistosoma japonicum ko:K09490 heat shock 70kDa protein 5, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium parvum heat shock protein, Hsp70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein kDa Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum Heat shock protein 70 (Precursor), related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus 3'partial|5'partial|heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Babesia bovis dnaK protein Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Giardia lamblia Bip Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium yoelii heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis heat shock 70 kDa protein 1 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70b Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei gambiense glucose-regulated protein 78, putative,luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat Shock protein family member (hsp 3) Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium vivax heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica 70 kDa heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Onchocerca volvulus Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans Cytoplasmic chaperone Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70b Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) heat shock 70kDa protein 5 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock 70 kDa protein 1A:1B Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat Shock protein family member hsp 3 Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum heat shock protein 70 heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) 654 aa 613 aa 51.9 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni topbp1 0.0012 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0.1133 0.5
Brugia malayi topoisomerase 0.0012 0.1133 0.1398
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.1133 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2167 0.2673
Entamoeba histolytica hypothetical protein 0.0043 0.5688 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5357 0.6609
Loa Loa (eye worm) hypothetical protein 0.0019 0.2167 0.2673
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8106 1
Echinococcus granulosus GPCR family 2 0.0019 0.2167 0.2167
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.739 0.739
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5688 0.5688
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0.1133 0.1133
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5688 0.5688
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Brugia malayi hypothetical protein 0.0012 0.1133 0.1398
Schistosoma mansoni DNA ligase IV 0.0012 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2167 0.2167
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0012 0.1133 0.1398
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.1133 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0.1133 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.2167 0.2167
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.1133 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.739 0.739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.739 0.9116
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8106 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 1 1
Echinococcus multilocularis nibrin 0.0012 0.1133 0.1133
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.739 0.739
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.1133 1
Chlamydia trachomatis DNA ligase 0.0012 0.1133 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.1133 1
Treponema pallidum DNA ligase (lig) 0.0012 0.1133 1
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.1133 0.1133
Brugia malayi hypothetical protein 0.0012 0.1133 0.1398
Entamoeba histolytica hypothetical protein 0.0043 0.5688 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5688 0.5688
Loa Loa (eye worm) hypothetical protein 0.006 0.8106 1
Entamoeba histolytica hypothetical protein 0.0043 0.5688 1
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.1133 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.739 0.739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.739 0.739
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.1133 1
Schistosoma mansoni hypothetical protein 0.0041 0.5357 0.5357
Echinococcus granulosus nibrin 0.0012 0.1133 0.1133
Echinococcus granulosus replication factor c subunit 1 0.0012 0.1133 0.1133
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.1133 1
Schistosoma mansoni hypothetical protein 0.0019 0.2167 0.2167
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.739 0.739
Giardia lamblia Replication factor C, subunit 1 0.0012 0.1133 1
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0.1133 0.1133
Schistosoma mansoni hypothetical protein 0.0019 0.2167 0.2167
Entamoeba histolytica hypothetical protein 0.0043 0.5688 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.739 0.9116
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0.1133 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.1133 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2167 0.2167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.739 0.739
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.1133 1
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0.1133 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2167 0.2673
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2167 0.2167
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2167 0.2673
Schistosoma mansoni topbp1 0.0012 0.1133 0.1133
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.1133 0.1993
Loa Loa (eye worm) hypothetical protein 0.0041 0.5357 0.6609
Schistosoma mansoni hypothetical protein 0.0019 0.2167 0.2167
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8106 1
Entamoeba histolytica hypothetical protein 0.0012 0.1133 0.1993
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.1133 0.1133
Schistosoma mansoni hypothetical protein 0.0019 0.2167 0.2167
Brugia malayi DKFZp564C0469 protein 0.0012 0.1133 0.1398
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.1133 1
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0.1133 1
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.1133 1
Schistosoma mansoni hypothetical protein 0.0043 0.5688 0.5688
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2167 0.2167
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0.1133 0.5
Brugia malayi Pax transcription activation domain interacting protein 0.0012 0.1133 0.1398
Loa Loa (eye worm) hypothetical protein 0.0012 0.1133 0.1398
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0.1133 1
Brugia malayi hypothetical protein 0.0043 0.5688 0.7017
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.1133 0.1133
Onchocerca volvulus 0.0012 0.1133 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 13.1154 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
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23
Saccharomyces cerevisiae 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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