Detailed information for compound 1640298

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 574.753 | Formula: C32H34N2O4S2
  • H donors: 1 H acceptors: 3 LogP: 7.61 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)OCc1ccc2c(c1)cccc2)CCCCCCSSc1ccccn1)OCc1ccccc1
  • InChi: 1S/C32H34N2O4S2/c35-31(37-24-26-18-19-27-14-7-8-15-28(27)22-26)29(34-32(36)38-23-25-12-4-3-5-13-25)16-6-1-2-11-21-39-40-30-17-9-10-20-33-30/h3-5,7-10,12-15,17-20,22,29H,1-2,6,11,16,21,23-24H2,(H,34,36)/t29-/m0/s1
  • InChiKey: NCISJBWLFTVHAQ-LJAQVGFWSA-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 1 Starlite/ChEMBL References
Homo sapiens histone deacetylase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum histone deacetylase, putative Get druggable targets OG5_126742 All targets in OG5_126742
Cryptosporidium parvum RPD3/HD1 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
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
Trichomonas vaginalis histone deacetylase 1, 2 ,3, 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
Entamoeba histolytica 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
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 3 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
Trichomonas vaginalis 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
Leishmania mexicana 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
Giardia lamblia Histone deacetylase 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
Leishmania braziliensis histone deacetylase, 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
Loa Loa (eye worm) histone deacetylase 1 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 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
Loa Loa (eye worm) histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Plasmodium yoelii histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Babesia bovis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Brugia malayi Histone deacetylase 1 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
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
Leishmania infantum histone deacetylase, 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
Leishmania mexicana 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 donovani histone deacetylase, 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
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 1, 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
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
Cryptosporidium parvum histone deacetylase HDA2/Rpd3p 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
Leishmania braziliensis 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
Echinococcus granulosus 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
Cryptosporidium hominis histone deacetylase Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 3 Get druggable targets OG5_126742 All targets in OG5_126742
Echinococcus multilocularis histone deacetylase 1 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
Schistosoma mansoni 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
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 1 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
Brugia malayi histone deacetylase 1 (HD1) 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei histone deacetylase 2 histone deacetylase 2 488 aa 427 aa 29.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica PH domain containing protein kinase, putative 0.1145 0.6647 0.6647
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.006 0.0074 0.0074
Schistosoma mansoni histone deacetylase 0.0154 0.0642 0.0966
Trypanosoma cruzi NIMA-related kinase, putative 0.006 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0566 0.3138 0.3138
Echinococcus granulosus NDR protein kinase 0.0566 0.3138 0.4721
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.006 0.0074 0.0111
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.1098 0.6358 0.9565
Trypanosoma brucei rac serine-threonine kinase, putative 0.1699 1 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus granulosus serine/threonine protein kinase 0.1145 0.6647 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.006 0.0074 0.0074
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0566 0.3138 0.3138
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.1098 0.6358 1
Onchocerca volvulus Protein melted homolog 0.0048 0 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Trypanosoma cruzi histone deacetylase 1, putative 0.0154 0.0642 0.0966
Entamoeba histolytica hypothetical protein 0.006 0.0074 0.0074
Onchocerca volvulus 0.0048 0 0.5
Entamoeba histolytica protein kinase, putative 0.1699 1 1
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Brugia malayi Protein kinase domain containing protein 0.0566 0.3138 0.3138
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.006 0.0074 0.0111
Trypanosoma cruzi histone deacetylase 1, putative 0.0154 0.0642 0.0966
Echinococcus granulosus histone deacetylase 1 0.0154 0.0642 0.0966
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.006 0.0074 0.0111
Plasmodium falciparum histone deacetylase 1 0.0154 0.0642 0.101
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.1145 0.6647 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis Glutaredoxin protein 5 0.1085 0.6284 0.9454
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0566 0.3138 0.3138
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0275 0.1377 0.1377
Onchocerca volvulus 0.0048 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0566 0.3138 0.3138
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.0642 0.0642
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis serine:threonine protein kinase N2 0.0566 0.3138 0.4721
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0275 0.1377 0.2071
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.1098 0.6358 1
Entamoeba histolytica protein kinase, putative 0.006 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0244 0.1189 0.1189
Echinococcus multilocularis nervana 2 0.1085 0.6284 0.9454
Trypanosoma cruzi rac serine-threonine kinase, putative 0.1098 0.6358 0.9565
Entamoeba histolytica protein kinase, putative 0.1699 1 1
Echinococcus granulosus protein kinase c epsilon type 0.0566 0.3138 0.4721
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.0642 0.0642
Entamoeba histolytica protein kinase, putative 0.006 0.0074 0.0074
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.1098 0.6358 0.9565
Echinococcus multilocularis histone deacetylase 1 0.0154 0.0642 0.0966
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0154 0.0642 0.0642
Onchocerca volvulus 0.0048 0 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0566 0.3138 0.3138
Schistosoma mansoni atypical protein kinase C 0.0566 0.3138 0.4721
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0566 0.3138 0.4721
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Plasmodium falciparum calcium-dependent protein kinase 7 0.006 0.0074 0.0116
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.006 0.0074 0.0074
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis nervana 2 0.1085 0.6284 0.9454
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.006 0.0074 0.0111
Loa Loa (eye worm) AGC/AKT protein kinase 0.1699 1 1
Entamoeba histolytica protein kinase, putative 0.006 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.006 0.0074 0.0116
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis protein kinase c epsilon type 0.0566 0.3138 0.4721
Brugia malayi Hr1 repeat family protein 0.0566 0.3138 0.3138
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0566 0.3138 0.4721
Echinococcus granulosus serine:threonine protein kinase N2 0.0566 0.3138 0.4721
Echinococcus multilocularis serine:threonine protein kinase N2 0.0566 0.3138 0.4721
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0566 0.3138 0.4721
Echinococcus multilocularis rac serine:threonine kinase 0.1145 0.6647 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0566 0.3138 0.4721
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.006 0.0074 0.1151
Entamoeba histolytica PH domain containing protein kinase, putative 0.1145 0.6647 0.6647
Entamoeba histolytica PH domain containing protein kinase, putative 0.006 0.0074 0.0074
Echinococcus granulosus protein kinase C gamma type 0.0566 0.3138 0.4721
Trichomonas vaginalis AGC family protein kinase 0.0566 0.3138 0.3138
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis serine threonine protein kinase 0.0566 0.3138 0.4721
Echinococcus granulosus nervana 2 0.1085 0.6284 0.9454
Trypanosoma cruzi rac serine-threonine kinase, putative 0.1145 0.6647 1
Trypanosoma cruzi Protein kinase B 0.1145 0.6647 1
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.006 0.0074 0.0111
Onchocerca volvulus 0.0048 0 0.5
Echinococcus multilocularis protein kinase c iota type 0.0566 0.3138 0.4721
Trichomonas vaginalis AGC family protein kinase 0.0614 0.3427 0.3427
Trypanosoma cruzi NIMA-related kinase, putative 0.006 0.0074 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Schistosoma mansoni histone deacetylase 0.0154 0.0642 0.0966
Leishmania major serine/threonine-protein kinase a, putative 0.006 0.0074 0.1151
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Leishmania major histone deacetylase, putative 0.0154 0.0642 1
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Schistosoma mansoni serine/threonine-protein kinase 0.1145 0.6647 1
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Trypanosoma brucei histone deacetylase 1 0.0154 0.0642 0.0642
Trypanosoma brucei serine/threonine-protein kinase NRKB, putative 0.006 0.0074 0.0074
Loa Loa (eye worm) AGC/NDR protein kinase 0.0566 0.3138 0.3138
Onchocerca volvulus 0.0048 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Echinococcus granulosus Glutaredoxin protein 5 0.1085 0.6284 0.9454
Leishmania major folate/biopterin transporter, putative 0.006 0.0074 0.1151
Entamoeba histolytica histone deacetylase, putative 0.0154 0.0642 0.0642
Toxoplasma gondii protein kinase domain-containing protein 0.006 0.0074 0.0076
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0566 0.3138 0.4721
Echinococcus multilocularis serine:threonine protein kinase 38 0.0566 0.3138 0.4721
Trichomonas vaginalis AGC family protein kinase 0.0566 0.3138 0.3138
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0566 0.3138 0.4721
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.006 0.0074 0.0074
Entamoeba histolytica hypothetical protein 0.006 0.0074 0.0074
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0566 0.3138 0.4721
Toxoplasma gondii AGC kinase 0.1651 0.9711 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.006 0.0074 0.0111
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0566 0.3138 0.3138
Echinococcus granulosus histone deacetylase 3 0.0154 0.0642 0.0966
Toxoplasma gondii histone deacetylase HDAC3 0.0154 0.0642 0.0661
Echinococcus granulosus serine threonine protein kinase nrc 0.1098 0.6358 0.9565
Entamoeba histolytica protein kinase, putative 0.006 0.0074 0.0074
Leishmania major histone deacetylase, putative 0.0154 0.0642 1
Entamoeba histolytica p21-activated kinase 0.006 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.1085 0.6284 0.9454
Brugia malayi Protein kinase domain containing protein 0.0566 0.3138 0.3138
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.006 0.0074 0.0076
Trypanosoma brucei protein kinase, putative 0.006 0.0074 0.0074
Onchocerca volvulus 0.0048 0 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0154 0.0642 0.0642
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.006 0.0074 0.0074
Brugia malayi Histone deacetylase 1 0.0154 0.0642 0.0642
Onchocerca volvulus Putative zinc finger protein 0.0048 0 0.5
Onchocerca volvulus Putative neuronal RhoA GEF protein 0.0048 0 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0566 0.3138 0.3138
Leishmania major protein kinase, putative 0.006 0.0074 0.1151
Entamoeba histolytica PH domain containing protein kinase, putative 0.006 0.0074 0.0074
Onchocerca volvulus Abnormal cell migration protein 10 homolog 0.0048 0 0.5
Echinococcus granulosus protein kinase c iota type 0.0566 0.3138 0.4721
Echinococcus granulosus nervana 2 0.1085 0.6284 0.9454
Brugia malayi histone deacetylase 1 (HD1) 0.0154 0.0642 0.0642
Entamoeba histolytica protein kinase 2, putative 0.1098 0.6358 0.6358
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Brugia malayi p70 ribosomal S6 kinase beta 0.1651 0.9711 0.9711
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Schistosoma mansoni serine/threonine protein kinase 0.0566 0.3138 0.4721
Entamoeba histolytica protein kinase, putative 0.006 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.1651 0.9711 0.9711
Trichomonas vaginalis histone deacetylase, putative 0.0154 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0266 0.1325 0.1325
Brugia malayi protein kinase C II. 0.0566 0.3138 0.3138
Toxoplasma gondii histone deacetylase HDAC2 0.0154 0.0642 0.0661
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0554 0.3064 0.3064
Onchocerca volvulus 0.0048 0 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.006 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.1651 0.9711 0.9711
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Echinococcus granulosus Protein kinase C brain isozyme 0.0566 0.3138 0.4721
Echinococcus multilocularis histone deacetylase 3 0.0154 0.0642 0.0966
Loa Loa (eye worm) histone deacetylase 1 0.0154 0.0642 0.0642
Onchocerca volvulus outspread protein homolog 0.0048 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.0642 0.0642
Trichomonas vaginalis AGC family protein kinase 0.1699 1 1
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.006 0.0074 0.0111
Loa Loa (eye worm) histone deacetylase 3 0.0154 0.0642 0.0642
Entamoeba histolytica PH domain containing protein kinase, putative 0.006 0.0074 0.0074
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.006 0.0074 0.1151
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.1085 0.6284 0.9454
Plasmodium vivax histone deacetylase 1, putative 0.0154 0.0642 0.101
Trypanosoma cruzi serine/threonine protein kinase, putative 0.006 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.0566 0.3138 0.3138
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0275 0.1377 0.2071
Schistosoma mansoni serine/threonine kinase 0.0566 0.3138 0.4721
Giardia lamblia Kinase, AGC PKA 0.1098 0.6358 1
Leishmania major protein kinase, putative 0.006 0.0074 0.1151
Trichomonas vaginalis AGC family protein kinase 0.006 0.0074 0.0074

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0403 uM Inhibition of HDAC2 in human HeLa cell nuclear extracts in presence of dithiothreitol by HDAC fluorescent assay ChEMBL. 22465091
IC50 (binding) = 0.0652 uM Inhibition of human HDAC1 in presence of dithiothreitol by HDAC fluorescent assay ChEMBL. 22465091
IC50 (functional) = 14.8 uM Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 22465091

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22465091

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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