Detailed information for compound 1632172

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 593.757 | Formula: C33H47N5O5
  • H donors: 4 H acceptors: 5 LogP: 3.63 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(C)C
  • InChi: 1S/C33H47N5O5/c1-4-24(39)11-6-5-7-14-27-31(41)37-28(18-22-20-34-26-13-9-8-12-25(22)26)32(42)35-23(17-21(2)3)19-30(40)38-16-10-15-29(38)33(43)36-27/h8-9,12-13,20-21,23,27-29,34H,4-7,10-11,14-19H2,1-3H3,(H,35,42)(H,36,43)(H,37,41)/t23-,27-,28-,29-/m0/s1
  • InChiKey: JNKZUXXSCHXOKY-HPEBZSCQSA-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 nuclear receptor corepressor 2 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 3 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis hypothetical protein 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
Loa Loa (eye worm) histone deacetylase 3 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 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
Trypanosoma brucei histone deacetylase 3 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
Echinococcus multilocularis histone deacetylase 1 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma japonicum Histone deacetylase 10, 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
Brugia malayi histone deacetylase 1 (HD1) 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_126742 All targets in OG5_126742
Entamoeba histolytica histone deacetylase, putative 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
Loa Loa (eye worm) 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
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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Schistosoma japonicum Histone deacetylase 6, 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
Plasmodium vivax histone deacetylase 1, putative 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
Trypanosoma brucei gambiense histone deacetylase, putative 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 major histone deacetylase, 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
Neospora caninum hypothetical protein 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
Leishmania mexicana histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi histone deacetylase 3 (HD3) 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
Babesia bovis histone deacetylase, putative 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
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 granulosus histone deacetylase 7 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 braziliensis histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Neospora caninum histone deacetylase, 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
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
Leishmania infantum histone deacetylase, putative 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
Plasmodium knowlesi histone deacetylase 1, putative 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
Trypanosoma brucei histone deacetylase, putative 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
Trypanosoma brucei histone deacetylase 4 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 congolense 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
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Trypanosoma congolense 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
Plasmodium berghei histone deacetylase 2, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Echinococcus multilocularis 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
Leishmania mexicana histone deacetylase, 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
Plasmodium berghei histone deacetylase 1, 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
Plasmodium knowlesi histone deacetylase, 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
Giardia lamblia 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 yoelii 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
Leishmania braziliensis 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
Trichomonas vaginalis 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
Echinococcus multilocularis histone deacetylase 3 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 falciparum histone deacetylase, putative 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
Brugia malayi Histone deacetylase 1 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
Theileria parva hypothetical protein 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
Leishmania major histone deacetylase, putative 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
Trypanosoma cruzi histone deacetylase 1, 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
Schistosoma mansoni histone deacetylase 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
Trichomonas vaginalis histone deacetylase, 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Plasmodium vivax histone deacetylase, putative 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 4, 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
Trypanosoma brucei 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
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
Plasmodium knowlesi histone deacetylase 2, putative 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Schistosoma mansoni histone deacetylase hda2 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii histone deacetylase 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
Trichomonas vaginalis 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
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
Echinococcus granulosus histone deacetylase Get druggable targets OG5_126654 All targets in OG5_126654
Cryptosporidium hominis histone deacetylase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei histone deacetylase 3 0.0114 0.3299 0.585
Toxoplasma gondii histone deacetylase HDAC5 0.008 0.2255 0.399
Onchocerca volvulus Fxna peptidase homolog 0.004 0.1001 0.1331
Loa Loa (eye worm) histone deacetylase 1 0.019 0.5628 0.7588
Loa Loa (eye worm) hypothetical protein 0.0053 0.1417 0.1894
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Echinococcus granulosus histone deacetylase 1 0.019 0.5628 0.5621
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1001 0.1778
Mycobacterium ulcerans hypothetical protein 0.004 0.1001 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.004 0.1001 0.1754
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.004 0.1001 0.0986
Leishmania major histone deacetylase, putative 0.019 0.5628 1
Schistosoma mansoni hypothetical protein 0.0017 0.0303 0.0388
Echinococcus multilocularis histone deacetylase 7 0.0114 0.3299 0.3289
Echinococcus granulosus histone deacetylase 8 0.008 0.2255 0.2243
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0303 0.0287
Brugia malayi leucyl aminopeptidase 0.004 0.1001 0.1331
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.1566 0.2761
Schistosoma mansoni histone deacetylase 4 5 0.0114 0.3299 0.4439
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0007 0.0016 0.0029
Schistosoma mansoni hypothetical protein 0.0017 0.0303 0.0388
Toxoplasma gondii histone deacetylase HDAC4 0.008 0.2255 0.399
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0303 0.0287
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0303 0.0388
Brugia malayi nicalin 0.004 0.1001 0.1331
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.004 0.1001 0.0986
Loa Loa (eye worm) hypothetical protein 0.004 0.1001 0.1331
Loa Loa (eye worm) histone deacetylase 3 0.019 0.5628 0.7588
Schistosoma mansoni cpg binding protein 0.0032 0.0779 0.1032
Trypanosoma brucei glutaminyl cyclase, putative 0.004 0.1001 0.1754
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0078 0.0083
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.004 0.1001 0.1331
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0007 0.0016 0.0029
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.004 0.1001 0.0986
Echinococcus multilocularis histone deacetylase 6 0.0122 0.3528 0.3518
Echinococcus granulosus histone deacetylase 3 0.019 0.5628 0.5621
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0901 0.1197
Schistosoma mansoni nicalin (M28 family) 0.004 0.1001 0.1331
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.1778 0.2383
Echinococcus granulosus histone deacetylase 7 0.0114 0.3299 0.3289
Echinococcus multilocularis histone deacetylase 6 0.0114 0.3299 0.3289
Trypanosoma cruzi histone deacetylase, putative 0.008 0.2255 0.399
Plasmodium vivax histone deacetylase, putative 0.008 0.2255 0.399
Schistosoma mansoni hypothetical protein 0.0017 0.0303 0.0388
Giardia lamblia Histone deacetylase 0.019 0.5628 1
Brugia malayi FXNA 0.004 0.1001 0.1331
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0726 0.096
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0303 0.0388
Echinococcus granulosus histone deacetylase 0.0114 0.3299 0.3289
Loa Loa (eye worm) leucyl aminopeptidase 0.004 0.1001 0.1331
Brugia malayi histone deacetylase 3 (HD3) 0.019 0.5628 0.7588
Loa Loa (eye worm) hypothetical protein 0.0248 0.7412 1
Loa Loa (eye worm) hypothetical protein 0.004 0.1001 0.1331
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.004 0.1001 0.0986
Echinococcus multilocularis histone deacetylase 8 0.008 0.2255 0.2243
Schistosoma mansoni hypothetical protein 0.0017 0.0303 0.0388
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1001 0.1778
Trichomonas vaginalis BRCA1-associated protein, putative 0.0007 0.0016 0.0029
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0303 0.0287
Trypanosoma brucei histone deacetylase 2 0.008 0.2255 0.399
Echinococcus granulosus histone deacetylase 6 0.0122 0.3528 0.3518
Echinococcus granulosus GPCR family 2 0.0017 0.0303 0.0287
Onchocerca volvulus Fxna peptidase homolog 0.004 0.1001 0.1331
Loa Loa (eye worm) hypothetical protein 0.008 0.2255 0.3028
Onchocerca volvulus Histone deacetylase 10 homolog 0.008 0.2255 0.3028
Schistosoma mansoni hypothetical protein 0.0036 0.0901 0.1197
Brugia malayi CXXC zinc finger family protein 0.0031 0.0726 0.096
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0021 0.0006
Entamoeba histolytica histone deacetylase, putative 0.019 0.5628 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.004 0.1001 0.5
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.004 0.1001 0.1331
Trypanosoma brucei histone deacetylase 1 0.019 0.5628 1
Onchocerca volvulus 0.0031 0.0726 0.096
Toxoplasma gondii histone deacetylase HDAC3 0.019 0.5628 1
Loa Loa (eye worm) histone deacetylase 0.0114 0.3299 0.4439
Toxoplasma gondii hypothetical protein 0.004 0.1001 0.1754
Brugia malayi histone deacetylase 11 0.008 0.2255 0.3028
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0303 0.0388
Plasmodium vivax histone deacetylase, putative 0.0114 0.3299 0.585
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.019 0.5628 1
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.004 0.1001 0.0986
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1001 0.1778
Loa Loa (eye worm) hypothetical protein 0.0034 0.0831 0.1102
Trypanosoma cruzi histone deacetylase, putative 0.008 0.2255 0.399
Leishmania major histone deacetylase, putative 0.0114 0.3299 0.585
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0021 0.0004
Leishmania major glutaminyl cyclase, putative 0.004 0.1001 0.1754
Onchocerca volvulus 0.004 0.1001 0.1331
Loa Loa (eye worm) histone deacetylase 11 0.008 0.2255 0.3028
Schistosoma mansoni histone deacetylase 4 5 0.0114 0.3299 0.4439
Schistosoma mansoni Fxna peptidase (M28 family) 0.004 0.1001 0.1331
Plasmodium vivax histone deacetylase 1, putative 0.019 0.5628 1
Schistosoma mansoni histone deacetylase 1 2 3 0.008 0.2255 0.3028
Toxoplasma gondii peptidase, M28 family protein 0.004 0.1001 0.1754
Trypanosoma brucei histone deacetylase 4 0.0114 0.3299 0.585
Schistosoma mansoni histone deacetylase 0.019 0.5628 0.7588
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.019 0.5628 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0303 0.0287
Schistosoma mansoni histone deacetylase hda2 0.0122 0.3528 0.4749
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Echinococcus multilocularis histone deacetylase 0.0114 0.3299 0.3289
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0074 0.0078
Echinococcus multilocularis histone deacetylase 6 0.0114 0.3299 0.3289
Plasmodium falciparum histone deacetylase 1 0.019 0.5628 1
Echinococcus granulosus histone deacetylase 6 0.0114 0.3299 0.3289
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0303 0.0287
Echinococcus multilocularis histone deacetylase 1 0.019 0.5628 0.5621
Loa Loa (eye worm) histone deacetylase 7A 0.0114 0.3299 0.4439
Plasmodium falciparum histone deacetylase 2 0.0114 0.3299 0.585
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.3299 0.585
Brugia malayi Histone deacetylase family protein 0.0114 0.3299 0.4439
Brugia malayi Histone deacetylase family protein 0.0114 0.3299 0.4439
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.004 0.1001 0.1778
Plasmodium vivax histone deacetylase 2, putative 0.0114 0.3299 0.585
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0062
Loa Loa (eye worm) hypothetical protein 0.0017 0.0303 0.0388
Loa Loa (eye worm) hypothetical protein 0.0036 0.0901 0.1197
Echinococcus multilocularis cpg binding protein 0.0032 0.0779 0.0765
Onchocerca volvulus Glutaminyl cyclase homolog 0.0248 0.7412 1
Leishmania major hypothetical protein, conserved 0.004 0.1001 0.1754
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.004 0.1001 0.5
Onchocerca volvulus Fxna peptidase homolog 0.004 0.1001 0.1331
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0021 0.0004
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0007 0.0016 0.0029
Trypanosoma brucei histone deacetylase, putative 0.0114 0.3299 0.585
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.019 0.5628 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0007 0.0016 0.0029
Schistosoma mansoni histone deacetylase 0.019 0.5628 0.7588
Schistosoma mansoni cpg binding protein 0.0031 0.0726 0.096
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Trypanosoma cruzi histone deacetylase 1, putative 0.019 0.5628 1
Schistosoma mansoni cpg binding protein 0.0032 0.0779 0.1032
Echinococcus granulosus histone deacetylase 6 0.0114 0.3299 0.3289
Schistosoma mansoni histone deacetylase hda2 0.008 0.2255 0.3028
Brugia malayi Histone deacetylase 1 0.019 0.5628 0.7588
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0021 0.0004
Loa Loa (eye worm) hypothetical protein 0.0041 0.106 0.1412
Echinococcus multilocularis histone deacetylase 3 0.019 0.5628 0.5621
Trichomonas vaginalis histone deacetylase, putative 0.019 0.5628 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1417 0.1894
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0248 0.7412 0.7408
Plasmodium falciparum histone deacetylase, putative 0.0114 0.3299 0.585
Toxoplasma gondii histone deacetylase HDAC1 0.0114 0.3299 0.585
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0021 0.0004
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1417 0.1894
Leishmania major histone deacetylase, putative 0.019 0.5628 1
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.3299 0.585
Loa Loa (eye worm) hypothetical protein 0.004 0.1001 0.1331
Trypanosoma cruzi histone deacetylase 1, putative 0.019 0.5628 1
Leishmania major histone deacetylase, putative 0.0114 0.3299 0.585
Brugia malayi Peptidase family M28 containing protein 0.0248 0.7412 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1417 0.1894
Toxoplasma gondii histone deacetylase HDAC2 0.019 0.5628 1
Trichomonas vaginalis brca1-associated protein, putative 0.0007 0.0016 0.0029
Mycobacterium tuberculosis Conserved protein 0.004 0.1001 0.5
Echinococcus granulosus cpg binding protein 0.0032 0.0779 0.0765
Loa Loa (eye worm) hypothetical protein 0.004 0.1001 0.1331
Brugia malayi histone deacetylase 1 (HD1) 0.019 0.5628 0.7588
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0062
Trypanosoma cruzi glutaminyl cyclase, putative 0.004 0.1001 0.1754
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0248 0.7412 1
Loa Loa (eye worm) hypothetical protein 0.019 0.5628 0.7588
Trypanosoma cruzi histone deacetylase, putative 0.0114 0.3299 0.585
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0248 0.7412 0.7408
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0007 0.0016 0.0029

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Inhibition of HDAC1 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 15 nM Inhibition of HDAC8 in human HeLa cells nuclear extract using Arg-His-Lys(Ac)-Lys(Ac)-AMC as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) = 280 nM Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958
IC50 (binding) > 10 uM Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry ChEMBL. 21984958

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

1 literature reference was collected for this gene.

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