Detailed information for compound 1117937

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.293 | Formula: C13H18N2O4
  • H donors: 3 H acceptors: 3 LogP: 0.48 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCC(=O)Nc1ccc(cc1)OC
  • InChi: 1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)
  • InChiKey: QYJANBGLOGFJLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 8 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 6 References
Homo sapiens histone deacetylase 3 Starlite/ChEMBL References
Homo sapiens histone deacetylase 10 References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum 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 berghei histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 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
Plasmodium vivax histone deacetylase, 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
Schistosoma mansoni histone deacetylase 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
Cryptosporidium parvum RPD3/HD1 histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii hypothetical protein 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
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 multilocularis histone deacetylase 6 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum hypothetical protein 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus granulosus 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi histone deacetylase 3 (HD3) Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei 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
Trypanosoma cruzi histone deacetylase, putative 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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC1 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma brucei histone deacetylase 4 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
Schistosoma japonicum Histone deacetylase 4, putative Get druggable targets OG5_126654 All targets in OG5_126654
Giardia lamblia Histone deacetylase 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
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
Trypanosoma brucei gambiense 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
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
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
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium vivax histone deacetylase 1, 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
Leishmania braziliensis histone deacetylase, putative 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
Brugia malayi Histone deacetylase 1 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
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein 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
Leishmania braziliensis histone deacetylase, putative 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
Trichomonas vaginalis 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 multilocularis histone deacetylase 6 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
Plasmodium falciparum histone deacetylase 2 Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis hypothetical protein 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
Leishmania major histone deacetylase, putative 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
Trypanosoma brucei histone deacetylase, putative 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
Loa Loa (eye worm) histone deacetylase 7A 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
Plasmodium berghei 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Theileria parva histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Brugia malayi histone deacetylase 1 (HD1) 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
Trypanosoma congolense histone deacetylase 4 Get druggable targets OG5_126654 All targets in OG5_126654
Babesia bovis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Trypanosoma congolense histone deacetylase 4 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
Leishmania braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium vivax histone deacetylase 2, putative Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva histone deacetylase, putative 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium berghei histone deacetylase 2, 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
Plasmodium knowlesi histone deacetylase, putative 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
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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Loa Loa (eye worm) histone deacetylase 3 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
Schistosoma mansoni histone deacetylase hda2 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 Histone deacetylase 6, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 3 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 6 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
Echinococcus granulosus histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium knowlesi 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
Schistosoma japonicum Histone deacetylase 10, putative 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
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
Leishmania major 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
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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC3 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
Leishmania infantum 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
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
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 6 Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus histone deacetylase 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
Trypanosoma cruzi histone deacetylase 1, putative Get druggable targets OG5_126742 All targets in OG5_126742
Neospora caninum hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major histone deacetylase, putative 0.0311 0.5841 0.9275
Loa Loa (eye worm) hypothetical protein 0.0033 0.014 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.3463 0.5155
Loa Loa (eye worm) hypothetical protein 0.0187 0.3297 0.4898
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.5841 1
Trypanosoma cruzi Aph-1 protein, putative 0.0094 0.1379 0.219
Brugia malayi histone deacetylase 3 (HD3) 0.0311 0.5841 0.926
Brugia malayi PHD-finger family protein 0.006 0.0695 0.0921
Trypanosoma cruzi ISWI complex protein 0.0035 0.0167 0.0265
Schistosoma mansoni hypothetical protein 0.0047 0.0414 0.0445
Echinococcus granulosus histone deacetylase 6 0.0333 0.6297 0.6251
Loa Loa (eye worm) hypothetical protein 0.0146 0.2458 0.3602
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0717 0.0598
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0054 0.0556 0.0696
Loa Loa (eye worm) histone deacetylase 11 0.0146 0.2458 0.3602
Plasmodium falciparum histone deacetylase 2 0.0333 0.6297 1
Echinococcus granulosus histone deacetylase 6 0.0341 0.645 0.6406
Echinococcus granulosus histone acetyltransferase KAT2B 0.0054 0.0556 0.0437
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.028 0.0479
Trypanosoma brucei histone deacetylase 1 0.0311 0.5841 0.926
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0564 0.0445
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0264 0.4885 0.7352
Brugia malayi Inositol-1 0.004 0.028 0.0248
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0081 0.1124 0.1012
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0564 0.0676
Echinococcus granulosus histone lysine methyltransferase setb 0.0072 0.0941 0.0827
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0564 0.0676
Schistosoma mansoni methyl-cpg binding protein mbd 0.0039 0.0248 0.0188
Trypanosoma brucei histone deacetylase 2 0.0146 0.2458 0.3778
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6297 1
Schistosoma mansoni zinc finger protein 0.0048 0.0448 0.0496
Trypanosoma brucei histone deacetylase 4 0.0333 0.6297 1
Onchocerca volvulus 0.0268 0.4953 1
Toxoplasma gondii histone deacetylase HDAC2 0.0311 0.5841 0.926
Loa Loa (eye worm) hypothetical protein 0.0072 0.0941 0.1258
Echinococcus granulosus fetal alzheimer antigen falz 0.0051 0.0503 0.0383
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.014 0.0021
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0039 0.0248 0.0123
Schistosoma mansoni hypothetical protein 0.0035 0.0167 0.0062
Brugia malayi gamma-secretase subunit aph-1 0.024 0.439 0.6909
Brugia malayi Histone deacetylase family protein 0.0333 0.6297 1
Echinococcus multilocularis histone deacetylase 1 0.0311 0.5841 0.5788
Echinococcus multilocularis gamma secretase subunit aph 1 0.024 0.439 0.4318
Toxoplasma gondii histone deacetylase HDAC4 0.0146 0.2458 0.3778
Schistosoma mansoni bromodomain containing protein 0.0147 0.2474 0.3627
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0941 0.1258
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.5841 0.9275
Loa Loa (eye worm) hypothetical protein 0.0096 0.1429 0.2012
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0213 0.3819 0.374
Brugia malayi acetyltransferase, GNAT family protein 0.0169 0.293 0.4543
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.024 0.439 0.6586
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Echinococcus multilocularis zinc finger protein 0.0048 0.0448 0.0325
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0054 0.0556 0.0696
Schistosoma mansoni histone deacetylase hda2 0.0146 0.2458 0.3602
Toxoplasma gondii histone deacetylase HDAC5 0.0146 0.2458 0.3778
Loa Loa (eye worm) hypothetical protein 0.0087 0.1237 0.1715
Schistosoma mansoni histone deacetylase 0.0311 0.5841 0.8828
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.028 0.0479
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0195 0.3463 0.5407
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.3463 0.5155
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0054 0.0556 0.0952
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0139 0.2308 0.221
Trypanosoma cruzi histone deacetylase, putative 0.0146 0.2458 0.3903
Brugia malayi Bromodomain containing protein 0.0173 0.3018 0.4685
Onchocerca volvulus Histone deacetylase 10 homolog 0.0146 0.2458 0.4805
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6297 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0717 0.0913
Leishmania major histone deacetylase, putative 0.0333 0.6297 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.024 0.439 0.6586
Plasmodium vivax histone deacetylase 2, putative 0.0333 0.6297 1
Echinococcus granulosus neuropeptide receptor A26 0.0514 1 1
Brugia malayi Histone deacetylase 1 0.0311 0.5841 0.926
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.015 0.0024
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.028 0.0444
Echinococcus granulosus gamma secretase subunit aph 1 0.024 0.439 0.4319
Loa Loa (eye worm) inositol-1 0.004 0.028 0.0236
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0195 0.3463 0.3381
Echinococcus granulosus snurportin 1 0.0348 0.66 0.6557
Echinococcus multilocularis histone deacetylase 6 0.0333 0.6297 0.625
Brugia malayi Pre-SET motif family protein 0.0235 0.4286 0.6741
Loa Loa (eye worm) MBCTL1 0.0061 0.0717 0.0913
Echinococcus multilocularis histone deacetylase 6 0.0333 0.6297 0.625
Loa Loa (eye worm) hypothetical protein 0.0195 0.345 0.5134
Brugia malayi RNA, U transporter 1 0.0093 0.136 0.1999
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0564 0.0676
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.028 0.0479
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.028 0.0444
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0364 0.0385
Brugia malayi mbt repeat family protein 0.0054 0.0564 0.0709
Schistosoma mansoni inositol monophosphatase 0.004 0.028 0.0236
Trichomonas vaginalis set domain proteins, putative 0.0268 0.4953 0.8481
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0564 0.0445
Echinococcus multilocularis histone deacetylase 6 0.0341 0.645 0.6405
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.5841 1
Schistosoma mansoni zinc finger protein 0.0035 0.0167 0.0062
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0564 0.0443
Trypanosoma brucei histone deacetylase 3 0.0333 0.6297 1
Trypanosoma brucei ISWI complex protein 0.0035 0.0167 0.0065
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0564 0.0443
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0195 0.3463 0.5155
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0717 0.06
Plasmodium falciparum histone deacetylase, putative 0.0333 0.6297 1
Echinococcus granulosus histone deacetylase 7 0.0333 0.6297 0.6251
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0195 0.3463 0.338
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0717 0.0598
Brugia malayi follicle stimulating hormone receptor 0.0264 0.4885 0.7712
Plasmodium vivax histone deacetylase, putative 0.0146 0.2458 0.3778
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.028 0.0155
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0195 0.3463 0.3381
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.6297 0.9533
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0195 0.3463 0.5155
Leishmania major histone deacetylase, putative 0.0311 0.5841 0.9275
Plasmodium vivax histone deacetylase 1, putative 0.0311 0.5841 0.926
Loa Loa (eye worm) hypothetical protein 0.016 0.2737 0.4033
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0455 0.0533
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0139 0.2308 0.2211
Schistosoma mansoni histone deacetylase 1 2 3 0.0146 0.2458 0.3602
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0051 0.0503 0.0581
Echinococcus multilocularis histone deacetylase 7 0.0333 0.6297 0.625
Echinococcus multilocularis neuropeptide s receptor 0.0514 1 1
Plasmodium vivax histone deacetylase, putative 0.0333 0.6297 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0193 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.0094 0.1379 0.219
Brugia malayi Histone deacetylase family protein 0.0333 0.6297 1
Toxoplasma gondii histone deacetylase HDAC1 0.0333 0.6297 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0311 0.5841 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0081 0.1124 0.101
Echinococcus multilocularis histone deacetylase 3 0.0311 0.5841 0.5788
Brugia malayi Bromodomain containing protein 0.0091 0.1316 0.1927
Loa Loa (eye worm) acetyltransferase 0.0169 0.293 0.4331
Trypanosoma cruzi histone deacetylase 1, putative 0.0311 0.5841 0.9275
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0717 0.0958
Echinococcus granulosus histone deacetylase 3 0.0311 0.5841 0.5788
Trypanosoma cruzi histone deacetylase, putative 0.0333 0.6297 1
Schistosoma mansoni hypothetical protein 0.0033 0.014 0.002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0455 0.0533
Trypanosoma brucei histone deacetylase, putative 0.0333 0.6297 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.028 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0039 0.0248 0.0188
Echinococcus granulosus histone deacetylase 8 0.0146 0.2458 0.2363
Echinococcus granulosus methyl CpG binding domain protein 2 0.0039 0.0248 0.0125
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.028 0.5
Schistosoma mansoni histone deacetylase 0.0311 0.5841 0.8828
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0072 0.0941 0.1258
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0676
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0213 0.3819 0.3741
Entamoeba histolytica histone deacetylase, putative 0.0311 0.5841 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0455 0.0508
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.028 0.0248
Echinococcus granulosus importin subunit beta 1 0.0033 0.0127 0.0002
Echinococcus multilocularis neuropeptide receptor A26 0.0514 1 1
Echinococcus granulosus inositol monophosphatase 1 0.004 0.028 0.0157
Loa Loa (eye worm) hypothetical protein 0.01 0.1517 0.2149
Onchocerca volvulus 0.0054 0.0564 0.0862
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Echinococcus multilocularis snurportin 1 0.0348 0.66 0.6556
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0169 0.293 0.4331
Schistosoma mansoni hypothetical protein 0.0328 0.6185 0.936
Brugia malayi mbt repeat family protein 0.0054 0.0564 0.0709
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0717 0.06
Echinococcus granulosus histone deacetylase 0.0333 0.6297 0.6251
Loa Loa (eye worm) histone deacetylase 0.0333 0.6297 0.9533
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Loa Loa (eye worm) bromodomain containing protein 0.0044 0.0359 0.0359
Leishmania major histone deacetylase, putative 0.0333 0.6297 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0348 0.66 1
Echinococcus granulosus histone deacetylase 1 0.0311 0.5841 0.5788
Echinococcus granulosus histone deacetylase 6 0.0333 0.6297 0.6251
Brugia malayi histone deacetylase 1 (HD1) 0.0311 0.5841 0.926
Echinococcus granulosus zinc finger protein 0.0048 0.0448 0.0327
Echinococcus granulosus histone acetyltransferase KAT2B 0.0159 0.2726 0.2634
Schistosoma mansoni inositol monophosphatase 0.004 0.028 0.0236
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0195 0.3463 0.338
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0193 0.5
Brugia malayi histone deacetylase 11 0.0146 0.2458 0.3778
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0051 0.0503 0.0381
Plasmodium falciparum histone deacetylase 1 0.0311 0.5841 0.926
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.015 0.0036
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0072 0.0941 0.0825
Trichomonas vaginalis bromodomain-containing protein, putative 0.0054 0.0556 0.0952
Brugia malayi Pre-SET motif family protein 0.0034 0.015 0.0038
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0564 0.0862
Loa Loa (eye worm) histone deacetylase 3 0.0311 0.5841 0.8828
Schistosoma mansoni hypothetical protein 0.0348 0.66 1
Loa Loa (eye worm) histone deacetylase 7A 0.0333 0.6297 0.9533
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.015 0.0036
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0717 0.0913
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0564 0.0676
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0169 0.293 0.284
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.015 0.0038
Giardia lamblia Histone deacetylase 0.0311 0.5841 1
Loa Loa (eye worm) histone deacetylase 1 0.0311 0.5841 0.8828
Leishmania major hypothetical protein, conserved 0.0035 0.0167 0.0265
Trypanosoma cruzi ISWI complex protein 0.0035 0.0167 0.0265
Loa Loa (eye worm) hypothetical protein 0.0311 0.5841 0.8828
Toxoplasma gondii histone deacetylase HDAC3 0.0311 0.5841 0.926
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.028 0.0479
Loa Loa (eye worm) PHD-finger family protein 0.0047 0.0414 0.0445
Schistosoma mansoni histone deacetylase 4 5 0.0333 0.6297 0.9533
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.028 0.0444
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.028 0.0248
Trichomonas vaginalis histone deacetylase, putative 0.0311 0.5841 1
Trypanosoma cruzi histone deacetylase, putative 0.0146 0.2458 0.3903
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0455 0.0508
Schistosoma mansoni histone deacetylase hda2 0.0341 0.645 0.9769
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0235 0.4286 0.6426
Plasmodium vivax SET domain protein, putative 0.0034 0.015 0.0038
Echinococcus multilocularis histone deacetylase 8 0.0146 0.2458 0.2361
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0054 0.0556 0.0696
Echinococcus multilocularis histone deacetylase 0.0333 0.6297 0.625
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0364 0.0623
Trypanosoma brucei Aph-1 protein, putative 0.0094 0.1379 0.203

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Induction of HDAC-mediated histone acetylation in human HepG2 cells at 5 uM after 6 hrs by indirect ELISA ChEMBL. 20143840
Activity (binding) Induction of HDAC-mediated histone hyperacetylation in human HepG2 cells at 5 uM after 6 hrs by indirect ELISA ChEMBL. 20143840
Activity (binding) Induction of HDAC-mediated alpha-tubulin acetylation in human HepG2 cells at 5 uM after 6 hrs by indirect ELISA ChEMBL. 20143840
Activity (binding) Induction of HDAC-mediated H3/H4 histone acetylation in human HepG2 cells at 5 uM after 6 hrs by indirect ELISA ChEMBL. 20143840
IC50 (binding) = 0.032 uM Induction of HDAC-mediated histone acetylation in human Caco-2 cells at 5 uM after 6 hrs by indirect ELISA ChEMBL. 20143840
IC50 (binding) = 0.071 uM Ex vivo inhibition of human HDAC1 in human Caco-2 cells by fluorometric cellular activity assay ChEMBL. 20143840
IC50 (binding) = 0.137 uM Ex vivo inhibition of human HDAC3 in human Caco-2 cells by fluorometric cellular activity assay ChEMBL. 20143840
IC50 (functional) = 9.9 uM Growth inhibition of human HepG2 cells after 48 hrs by MTT assay ChEMBL. 20143840
IC50 (functional) = 11.6 uM Growth inhibition of human Caco-2 cells after 48 hrs by MTT assay ChEMBL. 20143840
IC50 (functional) = 16 uM Ex vivo inhibition of human HDAC5 in human Caco-2 cells by fluorometric cellular activity assay ChEMBL. 20143840
IC50 (functional) = 21.6 uM Ex vivo inhibition of human HDAC7 in human Caco-2 cells by fluorometric cellular activity assay ChEMBL. 20143840

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20143840

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.