Detailed information for compound 1580971

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 683.792 | Formula: C35H49N5O9
  • H donors: 5 H acceptors: 6 LogP: 4.15 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@H]([C@@H](C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(cc1)OC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)C
  • InChi: 1S/C35H49N5O9/c1-9-21(4)30(37-32(43)29(20(2)3)38-34(45)49-35(5,6)7)33(44)40-18-23-16-26(48-19-28(41)39-46)13-10-22(23)17-27(40)31(42)36-24-11-14-25(47-8)15-12-24/h10-16,20-21,27,29-30,46H,9,17-19H2,1-8H3,(H,36,42)(H,37,43)(H,38,45)(H,39,41)/t21-,27-,29-,30-/m0/s1
  • InChiKey: GLVMVEGVQAKUGE-LUQUXWHUSA-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 10 References
Homo sapiens histone deacetylase 1 References
Homo sapiens histone deacetylase 9 Starlite/ChEMBL References
Homo sapiens histone deacetylase 8 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL References
Homo sapiens histone deacetylase 4 References
Homo sapiens histone deacetylase 3 References
Homo sapiens histone deacetylase 7 References
Homo sapiens histone deacetylase 2 References
Homo sapiens histone deacetylase 5 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) 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
Echinococcus multilocularis 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
Brugia malayi Histone deacetylase family 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
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K06067 histone deacetylase 1/2, 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
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
Brugia malayi Histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase 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
Leishmania infantum histone deacetylase, putative Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum hypothetical protein 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 hypothetical protein 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 4 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 major 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
Cryptosporidium hominis histone deacetylase 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
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 3 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
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
Babesia bovis histone deacetylase 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
Loa Loa (eye worm) histone deacetylase 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
Trypanosoma brucei gambiense histone deacetylase 1,histone deacetylase-like 1 protein, 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
Schistosoma japonicum IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing 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 congolense 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 falciparum histone deacetylase 2 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
Leishmania major 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
Leishmania major 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 3 Get druggable targets OG5_126742 All targets in OG5_126742
Toxoplasma gondii histone deacetylase HDAC2 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
Schistosoma mansoni histone deacetylase hda2 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
Echinococcus multilocularis histone deacetylase 6 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
Trichomonas vaginalis 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
Plasmodium yoelii hypothetical protein 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
Schistosoma japonicum Histone deacetylase 4, putative 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
Echinococcus granulosus histone deacetylase 7 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
Plasmodium yoelii Histone deacetylase family, 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
Loa Loa (eye worm) hypothetical protein 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
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
Trichomonas vaginalis 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
Leishmania mexicana histone deacetylase, putative 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
Schistosoma japonicum Histone deacetylase 6, 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
Echinococcus granulosus histone deacetylase 1 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase 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
Neospora caninum 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 6 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
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_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase 4 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, 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
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
Neospora caninum hypothetical protein Get druggable targets OG5_126654 All targets in OG5_126654
Loa Loa (eye worm) histone deacetylase 1 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 mansoni histone deacetylase 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
Trypanosoma brucei 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
Brugia malayi histone deacetylase 1 (HD1) 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
Schistosoma japonicum Histone deacetylase 4, 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 congolense histone deacetylase-like 1 protein, 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
Entamoeba histolytica histone deacetylase, putative 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
Plasmodium vivax histone deacetylase 2, 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
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
Trypanosoma cruzi 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
Cryptosporidium hominis hypothetical 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
Theileria parva hypothetical 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
Leishmania donovani histone deacetylase, 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
Theileria parva 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
Loa Loa (eye worm) histone deacetylase 3 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 brucei gambiense 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
Echinococcus multilocularis histone deacetylase 7 Get druggable targets OG5_126654 All targets in OG5_126654
Schistosoma japonicum Histone deacetylase 10, putative 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
Trypanosoma cruzi histone deacetylase, putative histone deacetylase 3 428 aa 374 aa 30.5 %
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Plasmodium falciparum histone deacetylase 1 histone deacetylase 8 286 aa 241 aa 44.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus histone deacetylase 6 0.0431 0.0601 0.1027
Schistosoma mansoni histone deacetylase 4 5 0.0431 0.0601 0.484
Loa Loa (eye worm) histone deacetylase 7A 0.0431 0.0601 0.0596
Schistosoma mansoni histone deacetylase hda2 0.0175 0.0213 0.1641
Giardia lamblia Histone deacetylase 0.034 0.0464 0.5
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0842 0.1227 0.1854
Loa Loa (eye worm) histone deacetylase 0.0431 0.0601 0.0596
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.1442 0.214 0.3523
Echinococcus granulosus choline O acetyltransferase 0.0842 0.1227 0.2133
Schistosoma mansoni histone deacetylase 0.034 0.0464 0.3708
Toxoplasma gondii histone deacetylase HDAC2 0.034 0.0464 0.6462
Echinococcus multilocularis histone deacetylase 0.0431 0.0601 0.1027
Brugia malayi Choline O-acetyltransferase 0.0842 0.1227 0.1227
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Loa Loa (eye worm) histone deacetylase 1 0.034 0.0464 0.0458
Schistosoma mansoni histone deacetylase 1 2 3 0.0175 0.0213 0.1641
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0842 0.1227 0.1227
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0842 0.1227 0.5264
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.1442 0.214 0.3744
Brugia malayi histone deacetylase 3 (HD3) 0.034 0.0464 0.0464
Echinococcus granulosus histone deacetylase 6 0.0431 0.0601 0.1027
Trypanosoma cruzi hypothetical protein, conserved 0.0842 0.1227 0.1854
Loa Loa (eye worm) hypothetical protein 0.0842 0.1227 0.1222
Echinococcus multilocularis histone deacetylase 3 0.034 0.0464 0.0785
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.0213 0.0207
Loa Loa (eye worm) hypothetical protein 0.034 0.0464 0.0458
Echinococcus granulosus histone deacetylase 6 0.0438 0.0612 0.1047
Leishmania major carnitine/choline acetyltransferase, putative 0.0842 0.1227 0.1463
Onchocerca volvulus 0.0842 0.1227 1
Echinococcus granulosus histone deacetylase 1 0.034 0.0464 0.0785
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.3771 0.5682 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.034 0.0464 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0842 0.1227 0.1854
Leishmania major histone deacetylase, putative 0.0431 0.0601 0.0263
Brugia malayi Histone deacetylase family protein 0.0431 0.0601 0.0601
Trypanosoma cruzi hypothetical protein, conserved 0.0842 0.1227 0.1854
Plasmodium falciparum histone deacetylase 2 0.0431 0.0601 1
Echinococcus granulosus histone deacetylase 3 0.034 0.0464 0.0785
Plasmodium vivax histone deacetylase 1, putative 0.034 0.0464 0.6462
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3771 0.5682 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0842 0.1227 0.5264
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.034 0.0464 0.5
Echinococcus multilocularis histone deacetylase 6 0.0438 0.0612 0.1047
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0842 0.1227 0.1854
Echinococcus granulosus histone deacetylase 8 0.0175 0.0213 0.0342
Trypanosoma brucei hypothetical protein, conserved 0.0842 0.1227 0.5264
Loa Loa (eye worm) choline O-acetyltransferase 0.0842 0.1227 0.1222
Loa Loa (eye worm) hypothetical protein 0.0263 0.0345 0.034
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.1442 0.214 0.3744
Trypanosoma brucei histone deacetylase, putative 0.0431 0.0601 0.2014
Leishmania major histone deacetylase, putative 0.0431 0.0601 0.0263
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.3771 0.5682 1
Trypanosoma cruzi histone deacetylase, putative 0.0431 0.0601 0.071
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.3771 0.5682 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.1442 0.214 0.214
Echinococcus multilocularis histone deacetylase 6 0.0431 0.0601 0.1027
Trypanosoma cruzi hypothetical protein, conserved 0.0842 0.1227 0.1854
Brugia malayi Histone deacetylase family protein 0.0431 0.0601 0.0601
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Leishmania major carnitine palmitoyltransferase-like protein 0.1442 0.214 0.3211
Toxoplasma gondii histone deacetylase HDAC3 0.034 0.0464 0.6462
Trypanosoma cruzi histone deacetylase 1, putative 0.034 0.0464 0.0458
Loa Loa (eye worm) hypothetical protein 0.0255 0.0334 0.0329
Schistosoma mansoni histone deacetylase 0.034 0.0464 0.3708
Onchocerca volvulus 0.0842 0.1227 1
Trypanosoma cruzi hypothetical protein, conserved 0.0842 0.1227 0.1854
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Trichomonas vaginalis histone deacetylase, putative 0.034 0.0464 0.5
Echinococcus multilocularis choline O acetyltransferase 0.0842 0.1227 0.2133
Toxoplasma gondii histone deacetylase HDAC1 0.0431 0.0601 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0019 0.0014
Plasmodium falciparum histone deacetylase, putative 0.0431 0.0601 1
Loa Loa (eye worm) histone deacetylase 3 0.034 0.0464 0.0458
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.034 0.0464 0.5
Schistosoma mansoni histone deacetylase hda2 0.0438 0.0612 0.4933
Brugia malayi Histone deacetylase 1 0.034 0.0464 0.0464
Trypanosoma cruzi histone deacetylase 1, putative 0.034 0.0464 0.0458
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0842 0.1227 0.1854
Echinococcus multilocularis histone deacetylase 8 0.0175 0.0213 0.0342
Echinococcus multilocularis histone deacetylase 1 0.034 0.0464 0.0785
Schistosoma mansoni choline o-acyltransferase 0.0842 0.1227 1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0842 0.1227 0.1854
Brugia malayi Choline O-acetyltransferase 0.0842 0.1227 0.1227
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0842 0.1227 0.5264
Plasmodium vivax histone deacetylase, putative 0.0431 0.0601 1
Brugia malayi histone deacetylase 1 (HD1) 0.034 0.0464 0.0464
Echinococcus multilocularis histone deacetylase 7 0.0431 0.0601 0.1027
Trypanosoma cruzi hypothetical protein, conserved 0.0842 0.1227 0.1854
Brugia malayi histone deacetylase 11 0.0175 0.0213 0.0213
Onchocerca volvulus 0.0842 0.1227 1
Loa Loa (eye worm) hypothetical protein 0.6609 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0431 0.0601 0.484
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0842 0.1227 0.1222
Echinococcus granulosus histone deacetylase 7 0.0431 0.0601 0.1027
Loa Loa (eye worm) histone deacetylase 11 0.0175 0.0213 0.0207
Trypanosoma brucei histone deacetylase 4 0.0431 0.0601 0.2014
Echinococcus granulosus histone deacetylase 0.0431 0.0601 0.1027
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.1442 0.214 1
Schistosoma mansoni choline o-acyltransferase 0.0842 0.1227 1
Plasmodium vivax histone deacetylase 2, putative 0.0431 0.0601 1
Entamoeba histolytica histone deacetylase, putative 0.034 0.0464 0.5
Onchocerca volvulus 0.0842 0.1227 1
Echinococcus multilocularis histone deacetylase 6 0.0431 0.0601 0.1027
Trypanosoma brucei histone deacetylase 3 0.0431 0.0601 0.2014
Trypanosoma cruzi histone deacetylase, putative 0.0431 0.0601 0.071
Trypanosoma cruzi histone deacetylase, putative 0.0431 0.0601 0.071
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.1442 0.214 0.2135
Trypanosoma brucei histone deacetylase 1 0.034 0.0464 0.1302
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.3771 0.5682 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0039 0.0006 0.0006

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.116 uM Inhibition of HDAC6 in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader ChEMBL. 21476600
IC50 (binding) = 0.128 uM Inhibition of HDAC in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader ChEMBL. 21476600
IC50 (binding) = 0.201 uM Inhibition of HDAC8 after 30 mins by fluorescence microplate reader ChEMBL. 21476600
IC50 (functional) = 2.78 uM Cytotoxicity against human K562 cells after 48 hrs by MTT assay ChEMBL. 21476600
IC50 (functional) = 63.3 uM Cytotoxicity against human NB4 cells after 48 hrs by MTT assay ChEMBL. 21476600
IC50 (functional) = 167 uM Cytotoxicity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 21476600

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21476600

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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