Detailed information for compound 86882

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.383 | Formula: C17H23N3O3
  • H donors: 4 H acceptors: 3 LogP: 2.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)CCCCCCNC(=O)c1cc2c([nH]1)ccc(c2)C
  • InChi: 1S/C17H23N3O3/c1-12-7-8-14-13(10-12)11-15(19-14)17(22)18-9-5-3-2-4-6-16(21)20-23/h7-8,10-11,19,23H,2-6,9H2,1H3,(H,18,22)(H,20,21)
  • InChiKey: NFPKGCWKRRIVCU-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma japonicum ko:K01463 Hdac3 [EC:3.5.1.-], 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
Trichomonas vaginalis 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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Brugia malayi histone deacetylase 1 (HD1) 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
Plasmodium knowlesi histone deacetylase 1, 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
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
Toxoplasma gondii histone deacetylase HDAC3 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
Trypanosoma cruzi histone deacetylase 1, 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
Theileria parva 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
Trichomonas vaginalis histone deacetylase, 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
Echinococcus multilocularis 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
Echinococcus multilocularis 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
Loa Loa (eye worm) hypothetical protein 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
Plasmodium berghei 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
Leishmania donovani histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania major histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Trypanosoma congolense histone deacetylase-like 1 protein, 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
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
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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 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
Toxoplasma gondii histone deacetylase HDAC2 Get druggable targets OG5_126742 All targets in OG5_126742
Giardia lamblia Histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Leishmania 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
Loa Loa (eye worm) 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
Trichomonas vaginalis histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium falciparum histone deacetylase 1 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
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
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
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
Plasmodium vivax 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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Schistosoma mansoni histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0084 0.0758
Loa Loa (eye worm) histone deacetylase 3 0.0077 0.1502 0.6893
Loa Loa (eye worm) histone deacetylase 7A 0.0022 0.0245 0.0963
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.0484 0.1927
Trypanosoma brucei histone deacetylase, putative 0.0022 0.0245 0.1141
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0171 0.3649 0.5495
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0032 0.0484 0.0404
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0283 0.1407
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0283 0.1407
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0245 0.0779
Echinococcus granulosus histone deacetylase 7 0.0022 0.0245 0.0779
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Toxoplasma gondii histone deacetylase HDAC3 0.0077 0.1502 0.2186
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0154 0.0493
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0245 0.1141
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0283 0.3046
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Loa Loa (eye worm) histone deacetylase 0.0022 0.0245 0.0963
Echinococcus multilocularis calcium dependent protein kinase 0.003 0.0438 0.1707
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1927
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.216 1
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.2888
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Plasmodium vivax histone deacetylase 1, putative 0.0077 0.1502 0.143
Plasmodium falciparum hexose transporter 0.0106 0.216 0.2094
Plasmodium vivax histone deacetylase, putative 0.0022 0.0245 0.0163
Schistosoma mansoni histone deacetylase 0.0077 0.1502 0.683
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 0.2565
Entamoeba histolytica protein kinase, putative 0.0032 0.0484 0.1646
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.1973
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.1502 0.683
Plasmodium falciparum calcium-dependent protein kinase 1 0.0032 0.0484 0.0404
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Plasmodium falciparum histone deacetylase 2 0.0022 0.0245 0.0163
Brugia malayi histone deacetylase 11 0.0022 0.0245 0.0779
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.1502 0.683
Trypanosoma brucei histone deacetylase 3 0.0022 0.0245 0.1141
Echinococcus granulosus General substrate transporter 0.0091 0.1821 0.8364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Leishmania major histone deacetylase, putative 0.0022 0.0245 0.1141
Loa Loa (eye worm) histone deacetylase 1 0.0077 0.1502 0.6893
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0084 0.0758
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0245 0.0779
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.2017
Plasmodium vivax CDK-related protein kinase 6, putative 0.0448 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1104 0.4915
Mycobacterium ulcerans sugar transporter 0.0015 0.0084 0.0758
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0589 0.0779
Schistosoma mansoni glucose transport protein 0.0106 0.216 1
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0245 0.0779
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Loa Loa (eye worm) hypothetical protein 0.0032 0.0484 0.2088
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.0484 0.1927
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0469 0.1855
Plasmodium vivax histone deacetylase 2, putative 0.0022 0.0245 0.0163
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Schistosoma mansoni glucose transport protein 0.0106 0.216 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.1502 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1855
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1104 0.7197
Echinococcus granulosus calcium dependent protein kinase 0.003 0.0438 0.1707
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0283 0.1407
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0245 0.0779
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0202 0.1159
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.0484 0.1927
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 1
Echinococcus granulosus histone deacetylase 0.0022 0.0245 0.0779
Schistosoma mansoni histone deacetylase hda2 0.0022 0.0245 0.0779
Schistosoma mansoni histone deacetylase 4 5 0.0022 0.0245 0.0779
Leishmania major histone deacetylase, putative 0.0077 0.1502 1
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0283 0.0308
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.2888
Echinococcus multilocularis histone deacetylase 3 0.0077 0.1502 0.683
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Echinococcus multilocularis histone deacetylase 8 0.0022 0.0245 0.0779
Toxoplasma gondii histone deacetylase HDAC5 0.0022 0.0245 0.0249
Trypanosoma cruzi hexose transporter 0.0033 0.0493 0.2888
Brugia malayi Histone deacetylase family protein 0.0022 0.0245 0.0779
Brugia malayi Cam kinase protein 1 0.0032 0.0484 0.1927
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1104 0.4915
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.1855
Toxoplasma gondii histone deacetylase HDAC4 0.0022 0.0245 0.0249
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0199
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0283 0.0201
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.216 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.1973
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.0484 0.1927
Echinococcus multilocularis histone deacetylase 7 0.0022 0.0245 0.0779
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1927
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Trypanosoma brucei glucose transporter 2A 0.0033 0.0493 0.2888
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Echinococcus multilocularis histone deacetylase 0.0022 0.0245 0.0779
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.2888
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0469 0.1523
Leishmania major glucose transporter, lmgt3 0.0033 0.0493 0.2888
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0217 0.0641
Brugia malayi histone deacetylase 1 (HD1) 0.0077 0.1502 0.683
Schistosoma mansoni protein kinase 0.0032 0.0484 0.1927
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1855
Leishmania major protein kinase, putative 0.0032 0.0484 0.2821
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0202 0.1159
Schistosoma mansoni histone deacetylase 0.0077 0.1502 0.683
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0032 0.0484 0.0617
Schistosoma mansoni histone deacetylase 1 2 3 0.0022 0.0245 0.0779
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.2888
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0245 0.1141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0283 0.1141
Trypanosoma brucei glucose transporter 1E 0.0033 0.0493 0.2888
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0199
Treponema pallidum prolyl-tRNA synthetase 0.0011 0 0.5
Plasmodium falciparum protein kinase 7 0.0299 0.6571 0.6542
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1104 1
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0589 0.051
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.216 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 0.3563
Loa Loa (eye worm) hypothetical protein 0.0026 0.0333 0.1375
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0245 0.1141
Trypanosoma cruzi histone deacetylase 1, putative 0.0077 0.1502 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0283 0.0961
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0032 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Brugia malayi Histone deacetylase family protein 0.0022 0.0245 0.0779
Plasmodium falciparum calcium-dependent protein kinase 5 0.0032 0.0484 0.0404
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.216 1
Loa Loa (eye worm) histone deacetylase 11 0.0022 0.0245 0.0963
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0032 0.0484 0.0404
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 0.3563
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Leishmania major histone deacetylase, putative 0.0022 0.0245 0.1141
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0589 0.051
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0493 0.2888
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0283 0.0961
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.1855
Trypanosoma brucei histone deacetylase 4 0.0022 0.0245 0.1141
Brugia malayi Sugar transporter family protein 0.0106 0.216 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1104 0.1573
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0015 0.0084 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.216 1
Entamoeba histolytica protein kinase, putative 0.0032 0.0484 0.1646
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.2017
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0283 0.0201
Echinococcus granulosus histone deacetylase 6 0.0022 0.0245 0.0779
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0032 0.0484 0.0617
Echinococcus granulosus histone deacetylase 1 0.0077 0.1502 0.683
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.0484 0.1927
Echinococcus granulosus histone deacetylase 6 0.0022 0.0245 0.0779
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0283 0.1407
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0283 1
Echinococcus multilocularis General substrate transporter 0.0091 0.1821 0.8364
Plasmodium falciparum histone deacetylase, putative 0.0022 0.0245 0.0163
Trypanosoma brucei histone deacetylase 1 0.0077 0.1502 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1104 0.4915
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.216 1
Plasmodium vivax hexose transporter 0.0106 0.216 0.2094
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.216 1
Entamoeba histolytica histone deacetylase, putative 0.0077 0.1502 1
Toxoplasma gondii histone deacetylase HDAC1 0.0022 0.0245 0.0249
Echinococcus granulosus histone deacetylase 3 0.0077 0.1502 0.683
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0589 0.3563
Plasmodium falciparum mitogen-activated protein kinase 2 0.0171 0.3649 0.3595
Echinococcus granulosus histone deacetylase 6 0.0022 0.0245 0.0779
Trypanosoma brucei histone deacetylase 2 0.0022 0.0245 0.1141
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.2888
Schistosoma mansoni hypothetical protein 0.0106 0.216 1
Toxoplasma gondii protein kinase, putative 0.0299 0.6571 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Leishmania major histone deacetylase, putative 0.0077 0.1502 1
Echinococcus granulosus histone deacetylase 8 0.0022 0.0245 0.0779
Plasmodium falciparum histone deacetylase 1 0.0077 0.1502 0.143
Brugia malayi histone deacetylase 3 (HD3) 0.0077 0.1502 0.683
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.1855
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1104 0.4915
Leishmania major glucose transporter, lmgt2 0.0033 0.0493 0.2888
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.2888
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0469 0.2716
Giardia lamblia Histone deacetylase 0.0077 0.1502 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.0484 0.2088
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1104 1
Plasmodium falciparum calcium-dependent protein kinase 2 0.0032 0.0484 0.0404
Toxoplasma gondii histone deacetylase HDAC2 0.0077 0.1502 0.2186
Plasmodium falciparum calcium-dependent protein kinase 3 0.0032 0.0484 0.0404
Leishmania major glucose transporter, lmgt1 0.0033 0.0493 0.2888
Plasmodium vivax histone deacetylase, putative 0.0022 0.0245 0.0163
Brugia malayi Histone deacetylase 1 0.0077 0.1502 0.683
Plasmodium vivax calcium-dependent protein kinase, putative 0.0032 0.0484 0.0404
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0084 0.0758
Echinococcus multilocularis histone deacetylase 1 0.0077 0.1502 0.683
Onchocerca volvulus Histone deacetylase 10 homolog 0.0022 0.0245 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 0.3563
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0245 0.1141
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.216 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 0.2565
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.1973
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.216 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.216 0.3201
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0171 0.3649 0.3595
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Loa Loa (eye worm) hypothetical protein 0.0077 0.1502 0.6893
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Trypanosoma cruzi histone deacetylase, putative 0.0022 0.0245 0.1141
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0077 0.1502 0.683
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0283 0.0961
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.0484 0.2088
Plasmodium falciparum calcium-dependent protein kinase 4 0.0032 0.0484 0.0404
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0032 0.0484 0.0617
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0032 0.0484 0.2821
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0589 0.3563
Echinococcus multilocularis histone deacetylase 6 0.0022 0.0245 0.0779
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0199
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0283 0.0961
Loa Loa (eye worm) hypothetical protein 0.0022 0.0245 0.0963
Loa Loa (eye worm) sugar transporter 0.0015 0.0084 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.1973
Schistosoma mansoni glucose transport protein 0.0106 0.216 1
Loa Loa (eye worm) sugar transporter 0.0106 0.216 1
Trichomonas vaginalis histone deacetylase, putative 0.0077 0.1502 0.683
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.2888
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.1855

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.3 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893
IC50 (binding) = 6.3 nM Inhibitory activity was tested against histone deacetylase (HDAC). ChEMBL. 12749893
IC50 (functional) = 0.17 uM Antiproliferative activity against MDA-435 (human breast carcinoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.17 uM Antiproliferative activity against MDA-435 (human breast carcinoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.2 uM Antiproliferative activity against HT-1080 (human fibrosarcoma) cell line. ChEMBL. 12749893
IC50 (functional) = 0.2 uM Antiproliferative activity against HT-1080 (human fibrosarcoma) cell line. ChEMBL. 12749893

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12749893

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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