Detailed information for compound 79822

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 303.356 | Formula: C16H21N3O3
  • H donors: 4 H acceptors: 3 LogP: 1.7 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCNC(=O)c1ccc2c(c1)[nH]cc2
  • InChi: 1S/C16H21N3O3/c20-15(19-22)5-3-1-2-4-9-18-16(21)13-7-6-12-8-10-17-14(12)11-13/h6-8,10-11,17,22H,1-5,9H2,(H,18,21)(H,19,20)
  • InChiKey: GFJCYXNALHKNTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) histone deacetylase 7A Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium berghei histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Entamoeba histolytica histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 3 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 10, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], putative Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum Histone deacetylase 6, putative Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC3 Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase family protein Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus multilocularis histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma cruzi histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 1 (HD1) Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Candida albicans one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component Get druggable targets OG5_126742 All targets in OG5_126742
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii Histone deacetylase family, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium knowlesi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus histone deacetylase 6 Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Leishmania major histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.006 0.0146 0.0976
Plasmodium vivax aspartyl protease, putative 0.016 0.0789 0.1319
Trypanosoma cruzi N-myristoyl transferase, putative 0.0175 0.0889 0.5964
Plasmodium vivax aspartyl proteinase, putative 0.0271 0.1508 0.2522
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0211 0.1123 0.754
Echinococcus granulosus histone deacetylase 6 0.0073 0.0229 0.1171
Brugia malayi aspartic protease BmAsp-2, identical 0.016 0.0789 0.403
Echinococcus multilocularis sterol regulatory element binding protein 0.011 0.0471 0.2408
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0254 0.1683
Echinococcus granulosus sodium:glucose cotransporter 0.0147 0.0708 0.3618
Brugia malayi aspartic protease BmAsp-1, identical 0.016 0.0789 0.403
Schistosoma mansoni histone deacetylase 4 5 0.0073 0.0229 0.0229
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0175 0.0889 0.4543
Chlamydia trachomatis outer membrane protein PmpF 0.0074 0.0238 0.0527
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.002 0.0103
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0047 0.0241
Plasmodium falciparum histone deacetylase 2 0.0073 0.0229 0.0382
Loa Loa (eye worm) TK/INSR protein kinase 0.011 0.0466 0.2379
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Brugia malayi SRC-1 0.0045 0.0047 0.0238
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0175 0.0889 0.1486
Echinococcus multilocularis protein dispatched 1 0.011 0.0471 0.2408
Trypanosoma brucei histone deacetylase 3 0.0073 0.0229 0.1534
Trypanosoma brucei histone deacetylase 4 0.0073 0.0229 0.1534
Brugia malayi Furin-like cysteine rich region family protein 0.0341 0.1956 1
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0471 0.312
Brugia malayi Subtilase family protein 0.0038 0.0001 0.0001
Echinococcus multilocularis protein patched 0.011 0.0471 0.2408
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.011 0.0471 0.2406
Echinococcus multilocularis histone deacetylase 0.0073 0.0229 0.1171
Schistosoma mansoni tyrosine kinase 0.0045 0.0047 0.0047
Echinococcus granulosus sterol regulatory element binding protein 0.011 0.0471 0.2408
Trypanosoma brucei N-myristoyl transferase, putative 0.0175 0.0889 0.5964
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0268 0.149 0.7614
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.0254 0.1298
Loa Loa (eye worm) aspartic protease BmAsp-1 0.016 0.0789 0.403
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0175 0.0889 0.4543
Brugia malayi hypothetical protein 0.016 0.0789 0.403
Loa Loa (eye worm) hypothetical protein 0.0038 0.0001 0.0001
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0231 0.1252 0.1252
Brugia malayi protein-tyrosine kinase 0.0041 0.002 0.01
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0047 0.0241
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0196 0.1023 0.678
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0175 0.0889 1
Plasmodium vivax aspartyl proteinase, putative 0.016 0.0789 0.1319
Loa Loa (eye worm) hypothetical protein 0.011 0.0471 0.2406
Echinococcus granulosus furin 0.0038 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0268 0.149 0.7613
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0067 0.0189 0.1265
Chlamydia trachomatis outer membrane protein PmpC 0.0074 0.0238 0.0527
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0211 0.1123 0.5742
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0067 0.0189 0.1844
Toxoplasma gondii aspartyl protease ASP3 0.0963 0.5975 1
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.0229 0.1534
Leishmania major histone deacetylase, putative 0.0073 0.0229 0.1534
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0271 0.1508 0.7707
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0196 0.1023 1
Schistosoma mansoni tyrosine kinase 0.018 0.0923 0.0922
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0184 0.0943 0.4819
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.057 0.378
Echinococcus granulosus insulin growth factor 1 receptor beta 0.011 0.0466 0.2382
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0047 0.0241
Plasmodium vivax aspartyl protease, putative 0.0963 0.5975 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0047 0.0241
Echinococcus multilocularis 0.0038 0.0001 0.0004
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0271 0.1508 1
Schistosoma mansoni tyrosine kinase 0.011 0.0466 0.0465
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0211 0.1123 0.5741
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.1265
Schistosoma mansoni N-myristoyltransferase 0.0175 0.0889 0.0888
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0268 0.149 0.7614
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0196 0.1023 0.6863
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0038 0.0001 0.0001
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.0315
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0271 0.1508 0.7707
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0038 0.0001 0.0004
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.0254 0.0425
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0211 0.1123 1
Schistosoma mansoni tyrosine kinase 0.018 0.0923 0.0922
Loa Loa (eye worm) histone deacetylase 0.0073 0.0229 0.1169
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.0254 0.1298
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0268 0.149 0.7613
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0067 0.0189 0.1265
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.002 0.0103
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0268 0.149 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.016 0.0789 0.403
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.0047 0.0241
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0067 0.0189 0.0967
Loa Loa (eye worm) hypothetical protein 0.0077 0.0254 0.1298
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0271 0.1508 0.1507
Plasmodium falciparum plasmepsin VII 0.016 0.0789 0.1319
Loa Loa (eye worm) SRC-1 0.0045 0.0047 0.0238
Toxoplasma gondii subtilisin SUB1 0.0538 0.3231 0.5408
Schistosoma mansoni tyrosine kinase 0.0045 0.0047 0.0047
Schistosoma mansoni niemann-pick C1 (NPC1) 0.011 0.0471 0.047
Brugia malayi celfurPC protein 0.0038 0.0001 0.0001
Echinococcus multilocularis membrane bound transcription factor site 1 0.0038 0.0001 0.0004
Brugia malayi Histone deacetylase family protein 0.0073 0.0229 0.1169
Echinococcus granulosus high affinity choline transporter 1 0.0038 0.0001 0.0003
Plasmodium vivax aspartyl protease, putative 0.0963 0.5975 1
Echinococcus multilocularis epidermal growth factor receptor 0.0184 0.0943 0.4819
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1273 0.7976 0.7976
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0047 0.0241
Plasmodium vivax subtilisin-like protease 1 0.0538 0.3231 0.5407
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0211 0.1123 0.1879
Plasmodium falciparum plasmepsin IV 0.0271 0.1508 0.2522
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0268 0.149 0.1489
Plasmodium falciparum plasmepsin X 0.0963 0.5975 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0268 0.149 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.1265
Onchocerca volvulus 0.016 0.0789 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0268 0.149 1
Plasmodium falciparum plasmepsin IX 0.0963 0.5975 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0211 0.1123 0.5742
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.0254 0.0425
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0271 0.1508 0.2523
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.002 0.0103
Trypanosoma brucei N-myristoyltransferase 0.0175 0.0889 0.5964
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.002 0.0103
Schistosoma mansoni memapsin-2 (A01 family) 0.016 0.0789 0.0788
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0067 0.0189 0.0316
Echinococcus granulosus neuroendocrine convertase 2 0.0038 0.0001 0.0004
Trichomonas vaginalis N-myristoyl transferase, putative 0.0115 0.0501 0.3319
Schistosoma mansoni histone deacetylase 0.0077 0.0254 0.0254
Echinococcus granulosus sodium:myo inositol cotransporter 0.0147 0.0708 0.3618
Brugia malayi proprotein convertase 2 0.0038 0.0001 0.0001
Echinococcus granulosus Furin 1 0.0038 0.0001 0.0004
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0038 0.0001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0051 0.0088 0.0445
Echinococcus granulosus tyrosine kinase 0.0041 0.002 0.0103
Echinococcus granulosus histone deacetylase 0.0073 0.0229 0.1171
Echinococcus granulosus histone deacetylase 7 0.0073 0.0229 0.1171
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0047 0.0241
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0211 0.1123 0.754
Brugia malayi Histone deacetylase 1 0.0077 0.0254 0.1298
Leishmania major histone deacetylase, putative 0.0077 0.0254 0.1704
Echinococcus granulosus insulin receptor 0.011 0.0466 0.2382
Echinococcus multilocularis epidermal growth factor receptor 0.0341 0.1956 1
Echinococcus multilocularis histone deacetylase 6 0.0073 0.0229 0.1171
Brugia malayi endoprotease bli-4 precursor 0.0038 0.0001 0.0001
Schistosoma mansoni inositol transporter 0.0147 0.0708 0.0707
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0254 0.1704
Echinococcus multilocularis 0.0105 0.0436 0.223
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0268 0.149 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0789 0.403
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.057 0.378
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0047 0.0241
Loa Loa (eye worm) TK protein kinase 0.0041 0.002 0.01
Echinococcus granulosus Niemann Pick C1 protein 0.011 0.0471 0.2408
Schistosoma mansoni tyrosine kinase 0.0341 0.1956 0.1956
Loa Loa (eye worm) histone deacetylase 7A 0.0073 0.0229 0.1169
Schistosoma mansoni inositol transporter 0.0147 0.0708 0.0707
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0196 0.1023 1
Loa Loa (eye worm) subtilase 0.0038 0.0001 0.0001
Plasmodium vivax histone deacetylase 2, putative 0.0073 0.0229 0.0382
Chlamydia trachomatis outer membrane protein PmpB 0.0074 0.0238 0.0527
Chlamydia trachomatis outer membrane protein PmpE 0.0074 0.0238 0.0527
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0047 0.0241
Echinococcus multilocularis histone deacetylase 6 0.0073 0.0229 0.1171
Brugia malayi Pepsin A precursor 0.016 0.0789 0.403
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.002 0.0103
Echinococcus granulosus epidermal growth factor receptor 0.0184 0.0943 0.4819
Loa Loa (eye worm) TK/EGFR protein kinase 0.0341 0.1956 1
Plasmodium vivax histone deacetylase, putative 0.0073 0.0229 0.0382
Trypanosoma brucei histone deacetylase 1 0.0077 0.0254 0.1704
Loa Loa (eye worm) aspartyl protease 6 0.016 0.0789 0.403
Plasmodium falciparum plasmepsin VI 0.0271 0.1508 0.2522
Echinococcus granulosus epidermal growth factor receptor 0.0341 0.1956 1
Plasmodium falciparum plasmepsin VIII, putative 0.016 0.0789 0.1319
Brugia malayi hypothetical protein 0.016 0.0789 0.403
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0268 0.149 1
Leishmania major histone deacetylase, putative 0.0073 0.0229 0.1534
Plasmodium falciparum plasmepsin II 0.0271 0.1508 0.2522
Echinococcus multilocularis histone deacetylase 1 0.0077 0.0254 0.1301
Brugia malayi Eukaryotic aspartyl protease family protein 0.016 0.0789 0.403
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0147 0.0708 0.3618
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0211 0.1123 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0175 0.0889 0.5892
Leishmania major histone deacetylase, putative 0.0077 0.0254 0.1704
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0196 0.1023 1
Plasmodium falciparum plasmepsin V 0.016 0.0789 0.1319
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Brugia malayi N-myristoyltransferase 2 0.0175 0.0889 0.4541
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0067 0.0189 0.0189
Echinococcus multilocularis Niemann Pick C1 protein 0.011 0.0471 0.2408
Echinococcus multilocularis high affinity choline transporter 1 0.0038 0.0001 0.0003
Echinococcus granulosus histone deacetylase 1 0.0077 0.0254 0.1301
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0254 0.1683
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.0254 0.1298
Schistosoma mansoni patched 1 0.011 0.0471 0.047
Plasmodium falciparum histone deacetylase, putative 0.0073 0.0229 0.0382
Trypanosoma cruzi N-myristoyl transferase, putative 0.0175 0.0889 0.5964
Brugia malayi Histone deacetylase family protein 0.0073 0.0229 0.1169
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0211 0.1123 0.1879
Schistosoma mansoni histone deacetylase 4 5 0.0073 0.0229 0.0229
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.0315
Brugia malayi ribonucleotide reductase 2 0.0067 0.0189 0.0965
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.0254 0.1683
Schistosoma mansoni tyrosine kinase 0.011 0.0466 0.0465
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0038 0.0001 0.0004
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.016 0.0789 0.1319
Onchocerca volvulus 0.016 0.0789 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.1265
Toxoplasma gondii histone deacetylase HDAC1 0.0073 0.0229 0.0383
Schistosoma mansoni tyrosine kinase 0.018 0.0923 0.0922
Loa Loa (eye worm) endoprotease bli-4 0.0038 0.0001 0.0001
Chlamydia trachomatis outer membrane protein PmpD 0.0074 0.0238 0.0527
Echinococcus multilocularis neuroendocrine convertase 2 0.0038 0.0001 0.0004
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.0254 0.1683
Echinococcus multilocularis insulin receptor 0.011 0.0466 0.2382
Brugia malayi CHE-14 protein 0.011 0.0471 0.2406
Plasmodium falciparum plasmepsin I 0.0271 0.1508 0.2522
Echinococcus multilocularis Furin 1 0.0038 0.0001 0.0004
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0067 0.0189 0.1844
Schistosoma mansoni cathepsin D (A01 family) 0.1587 1 1
Echinococcus multilocularis histone deacetylase 3 0.0077 0.0254 0.1301
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0047 0.0241
Toxoplasma gondii aspartyl protease ASP1 0.0271 0.1508 0.2523
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0211 0.1123 0.5741
Giardia lamblia CDC72 0.0175 0.0889 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0038 0.0001 0.0001
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0067 0.0189 0.1265
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.0229 0.1534
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0175 0.0889 0.1486
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0211 0.1123 0.1879
Plasmodium vivax plasmepsin V, putative 0.016 0.0789 0.1319
Echinococcus granulosus sodium:glucose cotransporter 2 0.0147 0.0708 0.3618
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0067 0.0189 0.0967
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0147 0.0708 0.3618
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0126 0.057 0.4983
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0038 0.0001 0.0003
Echinococcus granulosus Protein patched homolog 1 0.011 0.0471 0.2408
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.1265
Echinococcus granulosus histone deacetylase 6 0.0073 0.0229 0.1171
Plasmodium falciparum histone deacetylase 1 0.0077 0.0254 0.0425
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0126 0.057 0.378
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Leishmania major N-myristoyl transferase, putative 0.0175 0.0889 0.5964
Loa Loa (eye worm) N-myristoyltransferase 2 0.0175 0.0889 0.4541
Loa Loa (eye worm) hypothetical protein 0.0051 0.0088 0.0445
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0038 0.0001 0.0003
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0038 0.0001 0.0001
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0067 0.0189 0.1265
Echinococcus granulosus membrane bound transcription factor site 1 0.0038 0.0001 0.0004
Echinococcus granulosus solute carrier family 5 0.0147 0.0708 0.3618
Echinococcus multilocularis solute carrier family 5 0.0147 0.0708 0.3618
Echinococcus granulosus histone deacetylase 3 0.0077 0.0254 0.1301
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.0254 0.1298
Trypanosoma cruzi histone deacetylase, putative 0.0073 0.0229 0.1534
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0038 0.0001 0.0004
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0047 0.0241
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.016 0.0789 0.0788
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.0254 0.0425
Schistosoma mansoni tyrosine kinase 0.0184 0.0943 0.0942
Schistosoma mansoni tyrosine kinase 0.0184 0.0943 0.0942
Toxoplasma gondii aspartyl protease 0.016 0.0789 0.1319
Echinococcus multilocularis histone deacetylase 6 0.0073 0.0229 0.1171
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0271 0.1508 0.7706
Plasmodium falciparum subtilisin-like protease 1 0.0538 0.3231 0.5407
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0047 0.0241
Schistosoma mansoni histone deacetylase hda2 0.0073 0.0229 0.0229
Brugia malayi Protein kinase domain containing protein 0.011 0.0466 0.2379
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.011 0.0466 0.2382
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0211 0.1123 0.754
Plasmodium vivax plasmepsin IV, putative 0.0271 0.1508 0.2522
Onchocerca volvulus 0.0038 0.0001 0.0004
Trypanosoma brucei histone deacetylase, putative 0.0073 0.0229 0.1534
Echinococcus granulosus histone deacetylase 6 0.0073 0.0229 0.1171
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.007 0.0213 0.2075
Plasmodium falciparum plasmepsin III 0.016 0.0789 0.1319
Loa Loa (eye worm) proprotein convertase 2 0.0038 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0271 0.1508 0.7706
Echinococcus multilocularis histone deacetylase 7 0.0073 0.0229 0.1171
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.0254 0.1704
Schistosoma mansoni histone deacetylase 0.0077 0.0254 0.0254
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0211 0.1123 0.1123
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0067 0.0189 0.0965

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 56.5 nM Inhibitory concentration against human histone deacetylase ChEMBL. 14613312
IC50 (binding) = 56.5 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893
IC50 (binding) = 56.5 nM Inhibitory concentration against human histone deacetylase ChEMBL. 14613312
IC50 (binding) = 56.5 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

2 literature references were collected for this gene.

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