Detailed information for compound 1780438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 633.819 | Formula: C40H47N3O4
  • H donors: 3 H acceptors: 3 LogP: 8.3 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(Cc1ccc(cc1)NC(=O)CCCCCCC(=O)NO)C)/c1ccccc1
  • InChi: 1S/C40H47N3O4/c1-3-37(32-14-8-6-9-15-32)40(33-16-10-7-11-17-33)34-22-26-36(27-23-34)47-29-28-43(2)30-31-20-24-35(25-21-31)41-38(44)18-12-4-5-13-19-39(45)42-46/h6-11,14-17,20-27,46H,3-5,12-13,18-19,28-30H2,1-2H3,(H,41,44)(H,42,45)/b40-37-
  • InChiKey: QMIYTBVVEXLKCW-CUXNAULPSA-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 estrogen receptor 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 6 Starlite/ChEMBL 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
Trypanosoma cruzi histone deacetylase 1, 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
Trichomonas vaginalis histone deacetylase, 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 1, 2 ,3, 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
Plasmodium vivax 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
Echinococcus granulosus histone deacetylase 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
Neospora caninum hypothetical protein 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
Trypanosoma cruzi 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
Leishmania major 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
Trypanosoma congolense histone deacetylase 4 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Giardia lamblia Histone deacetylase 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
Babesia bovis 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
Trypanosoma cruzi histone deacetylase, putative 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
Toxoplasma gondii histone deacetylase HDAC3 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 mexicana 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
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
Plasmodium vivax histone deacetylase 2, 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
Plasmodium berghei 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
Leishmania infantum histone deacetylase, putative 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
Toxoplasma gondii histone deacetylase HDAC1 Get druggable targets OG5_126654 All targets in OG5_126654
Theileria parva hypothetical protein 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
Neospora caninum histone deacetylase, 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
Trypanosoma brucei histone deacetylase 4 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
Brugia malayi histone deacetylase 1 (HD1) 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
Entamoeba histolytica 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
Schistosoma mansoni 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
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
Echinococcus multilocularis histone deacetylase 1 Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma brucei 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
Neospora caninum 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
Plasmodium knowlesi histone deacetylase 2, 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
Leishmania braziliensis 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
Echinococcus multilocularis histone deacetylase 7 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
Leishmania donovani 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Plasmodium yoelii histone deacetylase 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 mexicana histone deacetylase, putative 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
Loa Loa (eye worm) histone deacetylase 7A 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 japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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 infantum histone deacetylase, 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
Trypanosoma congolense 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
Trypanosoma congolense histone deacetylase-like 1 protein, 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
Leishmania donovani 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
Cryptosporidium hominis hypothetical protein 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) 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
Schistosoma mansoni histone deacetylase 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
Loa Loa (eye worm) hypothetical protein 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
Plasmodium knowlesi 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
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
Brugia malayi Histone deacetylase 1 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
Leishmania mexicana 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
Echinococcus granulosus histone deacetylase 3 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 vivax histone deacetylase 1, 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
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
Cryptosporidium hominis histone deacetylase 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
Babesia bovis histone deacetylase 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
Brugia malayi Histone deacetylase family 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
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
Leishmania major 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
Theileria parva 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
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
Schistosoma mansoni histone deacetylase hda2 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
Cryptosporidium hominis histone deacetylase 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
Schistosoma mansoni histone deacetylase 4 5 Get druggable targets OG5_126654 All targets in OG5_126654
Plasmodium yoelii hypothetical protein 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
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
Trypanosoma brucei histone deacetylase 1 0.0091 0.0057 0.0057
Trypanosoma brucei Selenophosphate synthetase 2 0.0137 0.016 0.016
Loa Loa (eye worm) histone deacetylase 3 0.0091 0.0057 0.0062
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0217 0.0342 0.0447
Trypanosoma cruzi selenophosphate synthetase, putative 0.0137 0.016 0.016
Trypanosoma cruzi phospholipase A2-like protein, putative 0.033 0.0599 0.0599
Mycobacterium tuberculosis Hypothetical protein 0.1488 0.3225 0.4212
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0009 0.0009
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.3128 0.6945 0.9072
Onchocerca volvulus 0.072 0.1483 0.142
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.4475 1 1
Echinococcus granulosus dihydrofolate reductase 0.3442 0.7656 1
Trypanosoma brucei phospholipase A1, putative 0.072 0.1483 0.1483
Onchocerca volvulus 0.0404 0.0766 0.0293
Onchocerca volvulus 0.3128 0.6945 1
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.1832 0.4004 0.523
Plasmodium falciparum histone deacetylase 1 0.0091 0.0057 0.0057
Mycobacterium ulcerans thiamine monophosphate kinase 0.0082 0.0036 0.0047
Trypanosoma brucei histone deacetylase 3 0.0071 0.0009 0.0009
Mycobacterium ulcerans phosphoribosylformylglycinamidine synthase II 0.0137 0.016 0.0209
Trypanosoma cruzi selenophosphate synthetase, putative 0.0137 0.016 0.016
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.072 0.1483 0.1928
Leishmania major selenophosphate synthetase, putative 0.0137 0.016 0.016
Toxoplasma gondii histone deacetylase HDAC2 0.0091 0.0057 0.0057
Echinococcus multilocularis 0.0137 0.016 0.0197
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.3442 0.7656 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.4475 1 1
Wolbachia endosymbiont of Brugia malayi phosphoribosylformylglycinamidine synthase domain-containing protein 0.0137 0.016 0.0399
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0404 0.0766 0.0959
Leishmania major histone deacetylase, putative 0.0071 0.0009 0.0009
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.3128 0.6945 0.9067
Brugia malayi histone deacetylase 1 (HD1) 0.0091 0.0057 0.0062
Echinococcus granulosus thymidylate synthase 0.3128 0.6945 0.9071
Schistosoma mansoni dihydrofolate reductase 0.3442 0.7656 1
Brugia malayi dihydrofolate reductase family protein 0.3442 0.7656 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.4475 1 1
Echinococcus granulosus selenide water dikinase 0.0137 0.016 0.0197
Mycobacterium leprae Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf 0.0217 0.0342 0.0402
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0217 0.0342 0.0855
Loa Loa (eye worm) hypothetical protein 0.0091 0.0057 0.0062
Schistosoma mansoni histone deacetylase 0.0091 0.0057 0.0074
Echinococcus granulosus histone deacetylase 1 0.0091 0.0057 0.0062
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.3442 0.7656 1
Leishmania major pteridine reductase 1 0.0224 0.0356 0.0356
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.1832 0.4004 1
Mycobacterium tuberculosis Phosphoribosylformylglycinamidine synthase II PurL (FGAM synthase II) 0.0137 0.016 0.0209
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.3128 0.6945 0.9072
Brugia malayi hypothetical protein 0.1488 0.3225 0.4205
Brugia malayi Dihydrofolate reductase 0.3442 0.7656 1
Leishmania major histone deacetylase, putative 0.0071 0.0009 0.0009
Brugia malayi thymidylate synthase 0.3128 0.6945 0.9071
Leishmania major histone deacetylase, putative 0.0091 0.0057 0.0057
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.3442 0.7656 1
Loa Loa (eye worm) thymidylate synthase 0.3128 0.6945 0.9071
Trypanosoma cruzi phospholipase A1, putative 0.072 0.1483 0.1483
Toxoplasma gondii histone deacetylase HDAC3 0.0091 0.0057 0.0057
Plasmodium vivax histone deacetylase 1, putative 0.0091 0.0057 0.0057
Trypanosoma cruzi phospholipase A2-like protein, putative 0.033 0.0599 0.0599
Echinococcus granulosus histone deacetylase 6 0.0078 0.0026 0.0022
Plasmodium falciparum histone deacetylase 2 0.0071 0.0009 0.0009
Echinococcus granulosus histone deacetylase 3 0.0091 0.0057 0.0062
Toxoplasma gondii selenide, water dikinase 0.0137 0.016 0.016
Chlamydia trachomatis dihydrofolate reductase 0.3442 0.7656 1
Toxoplasma gondii histone deacetylase HDAC1 0.0071 0.0009 0.0009
Treponema pallidum methionyl-tRNA formyltransferase (fmt) 0.0066 0 0.5
Trypanosoma cruzi histone deacetylase 1, putative 0.0091 0.0057 0.0057
Plasmodium vivax selenophosphate synthetase, putative 0.0137 0.016 0.016
Trichomonas vaginalis conserved hypothetical protein 0.1488 0.3225 1
Onchocerca volvulus 0.072 0.1483 0.142
Trypanosoma brucei histone deacetylase 4 0.0071 0.0009 0.0009
Plasmodium falciparum histone deacetylase, putative 0.0071 0.0009 0.0009
Leishmania major histone deacetylase, putative 0.0091 0.0057 0.0057
Plasmodium vivax histone deacetylase 2, putative 0.0071 0.0009 0.0009
Echinococcus multilocularis thymidylate synthase 0.3128 0.6945 0.9071
Brugia malayi Histone deacetylase 1 0.0091 0.0057 0.0062
Plasmodium vivax histone deacetylase, putative 0.0071 0.0009 0.0009
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.4475 1 1
Schistosoma mansoni selinide water dikinase 0.0137 0.016 0.0209
Trypanosoma cruzi phospholipase A1, putative 0.072 0.1483 0.1483
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0217 0.0342 0.0447
Mycobacterium ulcerans thymidylate synthase 0.3128 0.6945 0.9072
Echinococcus multilocularis histone deacetylase 3 0.0091 0.0057 0.0062
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.072 0.1483 0.1928
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0009 0.0009
Mycobacterium tuberculosis Probable phosphoribosylamine--glycine ligase PurD (GARS) (glycinamide ribonucleotide synthetase) (phosphoribosylglycinamide synt 0.0267 0.0456 0.0595
Leishmania major phospholipase A1, putative 0.072 0.1483 0.1483
Trypanosoma brucei histone deacetylase, putative 0.0071 0.0009 0.0009
Schistosoma mansoni histone deacetylase hda2 0.0078 0.0026 0.0034
Onchocerca volvulus 0.072 0.1483 0.142
Giardia lamblia Histone deacetylase 0.0091 0.0057 0.5
Loa Loa (eye worm) dihydrofolate reductase 0.3442 0.7656 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.4475 1 1
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0404 0.0766 0.1001
Trypanosoma cruzi histone deacetylase 1, putative 0.0091 0.0057 0.0057
Plasmodium falciparum selenide water dikinase, putative 0.0137 0.016 0.016
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0404 0.0766 0.1001
Entamoeba histolytica histone deacetylase, putative 0.0091 0.0057 0.5
Schistosoma mansoni histone deacetylase 4 5 0.0071 0.0009 0.0012
Schistosoma mansoni histone deacetylase 0.0091 0.0057 0.0074
Echinococcus multilocularis histone deacetylase 1 0.0091 0.0057 0.0062
Wolbachia endosymbiont of Brugia malayi phosphoribosylaminoimidazole synthetase 0.0404 0.0766 0.1914
Brugia malayi selenium donor protein 0.0137 0.016 0.0197
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.1832 0.4004 0.5208
Schistosoma mansoni histone deacetylase 4 5 0.0071 0.0009 0.0012
Echinococcus multilocularis histone deacetylase 6 0.0078 0.0026 0.0022
Loa Loa (eye worm) selenium donor protein 0.0137 0.016 0.0197
Loa Loa (eye worm) histone deacetylase 1 0.0091 0.0057 0.0062
Mycobacterium leprae PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II PURL (FGAM SYNTHASE II) 0.0137 0.016 0.0163
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1488 0.3225 0.3225
Brugia malayi histone deacetylase 3 (HD3) 0.0091 0.0057 0.0062
Trypanosoma cruzi histone deacetylase, putative 0.0071 0.0009 0.0009
Echinococcus multilocularis dihydrofolate reductase 0.3442 0.7656 1
Trypanosoma brucei pteridine reductase 1 0.0221 0.035 0.035

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of human recombinant HDAC8 after 30 mins by fluorescence assay ChEMBL. 23786452
IC50 (binding) = 221 nM Inhibition of human recombinant HDAC6 after 30 mins by fluorescence assay ChEMBL. 23786452
IC50 (binding) = 2700 nM Inhibition of human recombinant HDAC1 after 30 mins by fluorescence assay ChEMBL. 23786452
IC50 (binding) = 0.127 uM Antagonist activity at Gal4 DBD-fused human ERalpha LBD expressed in HEK293T cells assessed as inhibition of estradiol-induced transcriptional activation after 20 hrs by luciferase reporter gene assay ChEMBL. 23786452
IC50 (functional) = 14.1 uM Cytotoxicity against ERalpha-deficient human DU145 cells expressing ERbeta assessed as growth inhibition after 72 hrs by MTT assay ChEMBL. 23786452

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 23786452

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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