Detailed information for compound 1547815

Basic information

Technical information
  • TDR Targets ID: 1547815
  • Name: bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-meth ylazanium chloride
  • MW: 396.048 | Formula: C21H46ClNO3
  • H donors: 3 H acceptors: 3 LogP: 6.3 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCC(C[N+](CCO)(CCO)C)O.[Cl-]
  • InChi: 1S/C21H46NO3.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)20-22(2,16-18-23)17-19-24;/h21,23-25H,3-20H2,1-2H3;1H/q+1;/p-1
  • InChiKey: TVHASYBZQSLFAU-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methyl-ammonium chloride
  • bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methylammonium chloride
  • bis(2-hydroxyethyl)-(2-hydroxyhexadecyl)-methyl-azanium chloride
  • Hexadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)- N-methyl-, chloride
  • NSC678146

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens autophagy related 4B, cysteine peptidase Starlite/ChEMBL No references
Homo sapiens RAD52 homolog (S. cerevisiae) Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens phospholipase A2, group IB (pancreas) Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis Peptidase C54 Get druggable targets OG5_127111 All targets in OG5_127111
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase Get druggable targets OG5_127111 All targets in OG5_127111
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum 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
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K08342 autophagy-related protein 4, putative Get druggable targets OG5_127111 All targets in OG5_127111
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
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 donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase Get druggable targets OG5_127111 All targets in OG5_127111
Leishmania mexicana AUT2/APG4/ATG4 cysteine peptidase, putative,cysteine peptidase, Clan CA, family C54, putative Get druggable targets OG5_127111 All targets in OG5_127111
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania infantum AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis 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
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica peptidase, C54 family Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus Peptidase C54 Get druggable targets OG5_127111 All targets in OG5_127111
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Schistosoma mansoni family C54 unassigned peptidase (C54 family) Get druggable targets OG5_127111 All targets in OG5_127111
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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 brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus multilocularis cysteine protease atg4b Get druggable targets OG5_127111 All targets in OG5_127111
Echinococcus granulosus cysteine protease atg4b Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134661 All targets in OG5_134661
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K08342 autophagy-related protein 4, putative Get druggable targets OG5_127111 All targets in OG5_127111
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans cytosolic NADP-specific 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
Brugia malayi Peptidase family C54 containing protein Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni autophagin-1 (C54 family) Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans potential protease similar to S. cerevisiae ATG4 (YNL223W) microtubule-binding anchor protein involved in attachment of autophag Get druggable targets OG5_127111 All targets in OG5_127111
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase Get druggable targets OG5_127111 All targets in OG5_127111
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia DNA repair protein RAD52 Get druggable targets OG5_130806 All targets in OG5_130806
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase Get druggable targets OG5_127111 All targets in OG5_127111
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans potential protease similar to S. cerevisiae ATG4 (YNL223W) microtubule-binding anchor protein involved in attachment of autophag Get druggable targets OG5_127111 All targets in OG5_127111
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans similar to S. cerevisiae RAD52 (YML032C) dsDNA break repair annealing factor Get druggable targets OG5_130806 All targets in OG5_130806
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127111 All targets in OG5_127111
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Onchocerca volvulus Phospholipase A2 homolog Get druggable targets OG5_134661 All targets in OG5_134661
Schistosoma mansoni family C54 unassigned peptidase (C54 family) Get druggable targets OG5_127111 All targets in OG5_127111
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani AUT2/APG4/ATG4 cysteine peptidase, putative Get druggable targets OG5_127111 All targets in OG5_127111
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica DNA repair and recombination protein RAD52, putative Get druggable targets OG5_130806 All targets in OG5_130806
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica peptidase, C54 family 0.0028 0.0415 0.0524
Echinococcus multilocularis Peptidase C54 0.0071 0.1248 0.3121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0249 0.0433
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0249 0.0644
Mycobacterium ulcerans beta-lactamase 0.0038 0.0612 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.1248 0.1171
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0249 0.0433
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0112 0.1837
Brugia malayi Peptidase family C54 containing protein 0.0071 0.1248 0.6028
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0612 0.0847
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0028 0.0415 0.6785
Echinococcus granulosus bloom syndrome protein 0.0029 0.0439 0.0944
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0612 0.1411
Onchocerca volvulus Phospholipase A2 homolog 0.0111 0.2013 0.1942
Mycobacterium ulcerans hypothetical protein 0.0038 0.0612 0.5
Mycobacterium tuberculosis Conserved protein 0.0038 0.0612 0.0847
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0612 1
Onchocerca volvulus 0.0038 0.0612 0.0529
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0249 0.4063
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0612 0.4047
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0249 0.0433
Mycobacterium leprae Probable lipase LipE 0.0038 0.0612 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Echinococcus multilocularis GPCR, family 2 0.0019 0.0248 0.0431
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0071 0.1248 1
Onchocerca volvulus 0.0038 0.0612 0.0529
Loa Loa (eye worm) RNA binding protein 0.0076 0.1349 0.1273
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0249 0.4063
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0439 0.2423
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0439 0.0944
Echinococcus multilocularis cysteine protease atg4b 0.0071 0.1248 0.3121
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0248 0.0431
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0249 0.0644
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0612 0.4047
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0249 0.0433
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0071 0.1248 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0248 0.0162
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0249 0.0836
Loa Loa (eye worm) hypothetical protein 0.0146 0.268 0.2615
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0112 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1349 0.3394
Schistosoma mansoni hypothetical protein 0.0205 0.3806 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0612 0.4047
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0612 0.0847
Schistosoma mansoni autophagin-1 (C54 family) 0.0071 0.1248 0.3121
Mycobacterium tuberculosis Conserved protein 0.0038 0.0612 0.0847
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0249 0.45
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0248 0.0162
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0612 0.2725
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0248 0.0833
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0431
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0028 0.0415 0.2204
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0028 0.0415 0.2204
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0112 0.0066
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1037 0.0958
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0248 0.0431
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0612 0.4047
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0028 0.0415 0.2204
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0371 0.8542
Entamoeba histolytica recQ family helicase, putative 0.0015 0.018 0.0227
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0028 0.0415 0.2204
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0612 0.1411
Entamoeba histolytica peptidase, C54 family 0.0071 0.1248 0.1574
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0248 0.0833
Mycobacterium tuberculosis Conserved protein 0.0038 0.0612 0.0847
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0071 0.1248 1
Echinococcus granulosus Peptidase C54 0.0071 0.1248 0.3121
Brugia malayi beta-lactamase family protein 0.0038 0.0612 0.2725
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.042 0.793 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.2013 0.1942
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0071 0.1248 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0612 0.4047
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0612 0.4047
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0431
Schistosoma mansoni hypothetical protein 0.0041 0.0672 0.1571
Brugia malayi Phospholipase A2 family protein 0.0111 0.2013 1
Entamoeba histolytica peptidase, C54 family 0.0028 0.0415 0.0524
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0612 0.0847
Mycobacterium ulcerans lipase LipD 0.0038 0.0612 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0672 0.3034
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0431
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0249 0.0644
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0071 0.1248 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0112 0.0025
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0249 0.0644
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1349 0.3394
Onchocerca volvulus Phospholipase A2 homolog 0.0528 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0249 0.0644
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0259 0.0275
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0612 0.1411
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Echinococcus multilocularis geminin 0.0205 0.3806 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.0112 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1349 0.3394
Schistosoma mansoni DNA helicase recq5 0.0012 0.0112 0.0066
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0612 0.0847
Schistosoma mansoni hypothetical protein 0.0205 0.3806 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0112 0.0128
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0612 0.5
Plasmodium falciparum cysteine protease ATG4, putative 0.0028 0.0415 1
Brugia malayi beta-lactamase 0.0038 0.0612 0.2725
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0612 0.0847
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0254 0.4154
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0612 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1349 0.3394
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0612 0.0847
Echinococcus granulosus tar DNA binding protein 0.0076 0.1349 0.3394
Schistosoma mansoni hypothetical protein 0.0019 0.0248 0.0431
Toxoplasma gondii ABC1 family protein 0.0038 0.0612 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0322 0.063
Entamoeba histolytica peptidase, C54 family 0.0028 0.0415 0.0524
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1349 0.3394
Loa Loa (eye worm) hypothetical protein 0.006 0.1037 0.0958
Leishmania major hypothetical protein, conserved 0.0038 0.0612 0.4047
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0071 0.1248 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0672 0.0589
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0249 0.0433
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0612 0.4047
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1037 0.4931
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0249 0.0433
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0112 0.1837
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1349 0.3394
Giardia lamblia DNA repair protein RAD52 0.042 0.793 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1349 0.1273
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0249 0.0162
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0119 0.2173 0.274
Brugia malayi TAR-binding protein 0.0076 0.1349 0.6553
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0612 0.0847
Trichomonas vaginalis esterase, putative 0.0038 0.0612 0.4047
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0612 0.5
Brugia malayi isocitrate dehydrogenase 0.0019 0.0249 0.0836
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0112 0.0066
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0612 0.4047
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0071 0.1248 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0612 0.1411
Loa Loa (eye worm) RecQ helicase 0.0029 0.0439 0.0354
Entamoeba histolytica hypothetical protein 0.0119 0.2173 0.274
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0112 0.0066
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1349 0.6553
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0112 0.0066
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0071 0.1248 0.3121
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0248 0.0431
Brugia malayi beta-lactamase family protein 0.0038 0.0612 0.2725
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0439 0.1823
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0243 0.4542 1
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0071 0.1248 0.3121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1349 0.1273
Loa Loa (eye worm) beta-lactamase 0.0038 0.0612 0.0529
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0612 0.0529
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0439 0.2423
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0071 0.1248 1
Brugia malayi RNA binding protein 0.0076 0.1349 0.6553
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0112 0.0025
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0249 0.0433
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1037 0.4931
Onchocerca volvulus 0.0038 0.0612 0.0529
Entamoeba histolytica peptidase, C54 family 0.0028 0.0415 0.0524
Loa Loa (eye worm) hypothetical protein 0.0038 0.0612 0.0529
Echinococcus granulosus geminin 0.0205 0.3806 1
Echinococcus granulosus cysteine protease atg4b 0.0071 0.1248 0.3121
Echinococcus granulosus GPCR family 2 0.0019 0.0248 0.0431
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0248 0.0431

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 8.88 uM PubChem BioAssay. FRET-based HTS for detection of RAD52 Inhibitors Measured in Biochemical System Using Plate Reader - 7018-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.233 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.053 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.619 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.37 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.348 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.328 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.232 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.221 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.958 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 7.95 uM PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504462, AID504475] ChEMBL. No reference
IC50 (functional) = 8.23 uM PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for identification of inhibitors of ATG4B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504462, AID504475] ChEMBL. No reference
IC50 (functional) = 25.3 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 50 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 85 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a MMP-2 Fluorescence assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 14.581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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