TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.406 | Formula: C18H23N5O5
H donors: 3 H acceptors: 6 LogP: 1.32 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CCCCCCC(=O)Nc1cnn(c1)Cc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C18H23N5O5/c24-17(5-3-1-2-4-6-18(25)21-26)20-15-11-19-22(13-15)12-14-7-9-16(10-8-14)23(27)28/h7-11,13,26H,1-6,12H2,(H,20,24)(H,21,25)
InChiKey: OXRFZTKVNBHUJF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	histone deacetylase 8	Starlite/ChEMBL	References
Homo sapiens	histone deacetylase 3		References
Homo sapiens	nuclear receptor corepressor 2	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
Loa Loa (eye worm)	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	Get druggable targets OG5_131772	All targets in OG5_131772
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus granulosus	nuclear receptor co repressor related ncor	Get druggable targets OG5_131772	All targets in OG5_131772
Leishmania mexicana	histone deacetylase, 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
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
Neospora caninum	hypothetical protein	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, 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
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
Brugia malayi	histone deacetylase 1 (HD1)	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
Echinococcus granulosus	histone deacetylase 3	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
Trypanosoma brucei gambiense	histone deacetylase 1,histone deacetylase-like 1 protein, 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
Schistosoma mansoni	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
Cryptosporidium parvum	histone deacetylase HDA2/Rpd3p	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
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
Leishmania infantum	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
Plasmodium falciparum	histone deacetylase 1	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
Cryptosporidium hominis	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
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, 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
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, 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
Babesia bovis	histone deacetylase	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
Echinococcus multilocularis	histone deacetylase 3	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 granulosus	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
Leishmania braziliensis	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
Plasmodium yoelii	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
Toxoplasma gondii	histone deacetylase HDAC3	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
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
Giardia lamblia	Histone deacetylase	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
Loa Loa (eye worm)	hypothetical protein	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 multilocularis	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium berghei	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
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 parvum	RPD3/HD1 histone deacetylase	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
Schistosoma japonicum	ko:K06067 histone deacetylase 1/2, putative	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 cruzi	histone deacetylase, putative	histone deacetylase 3	428 aa	374 aa	30.5 %
Plasmodium falciparum	histone deacetylase 1	histone deacetylase 8	286 aa	241 aa	44.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	histone deacetylase 8	0.0044	0.0456	0.047
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0119	0.1844	0.1898
Schistosoma mansoni	serine/threonine kinase	0.0026	0.0129	0.0133
Leishmania major	histone deacetylase, putative	0.0099	0.147	0.1495
Schistosoma mansoni	histone deacetylase 1 2 3	0.0044	0.0456	0.047
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0025	0.0113	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0546	0.9717	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0107	0.1622	0.167
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0546	0.9717	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0256	0.4371	1
Brugia malayi	amidase	0.0107	0.1622	0.167
Echinococcus granulosus	histone deacetylase 3	0.0099	0.147	0.1513
Trypanosoma cruzi	histone deacetylase 1, putative	0.0099	0.147	0.1495
Schistosoma mansoni	ap endonuclease	0.002	0.002	0.0021
Echinococcus granulosus	nuclear receptor co repressor related ncor	0.0333	0.5788	0.5957
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0026	0.0129	0.0133
Schistosoma mansoni	hypothetical protein	0.0035	0.0291	0.03
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0129	0.0133
Schistosoma mansoni	hypothetical protein	0.0353	0.6169	0.6349
Loa Loa (eye worm)	histone deacetylase 3	0.0099	0.147	0.1513
Trypanosoma cruzi	histone deacetylase, putative	0.0044	0.0456	0.045
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0102	0.1534	1
Echinococcus multilocularis	histone deacetylase 6	0.0044	0.0456	0.047
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1844	0.1898
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0129	0.0133
Echinococcus multilocularis	protein kinase c iota type	0.0044	0.0466	0.048
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0026	0.0129	0.0133
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.0536	0.0552
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0124	0.193	0.1987
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0026	0.0129	0.0133
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0107	0.1622	0.167
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0052	0.0054
Trypanosoma cruzi	histone deacetylase, putative	0.0044	0.0456	0.045
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.002	0.0021
Brugia malayi	CHE-14 protein	0.0225	0.3793	0.3903
Schistosoma mansoni	patched 1	0.0225	0.3793	0.3903
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0291	0.03
Entamoeba histolytica	protein kinase, putative	0.0026	0.0129	0.0719
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0546	0.9717	0.9716
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.1534	0.1561
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0167	0.2733	0.2813
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0026	0.0129	0.0133
Brugia malayi	serine/threonine-protein kinase plk-2	0.0102	0.1534	0.1578
Echinococcus multilocularis	histone deacetylase 6	0.0044	0.0456	0.047
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0129	0.0133
Echinococcus multilocularis	geminin	0.0353	0.6169	0.6349
Schistosoma mansoni	histone deacetylase hda2	0.0044	0.0456	0.047
Echinococcus multilocularis	histone deacetylase 3	0.0099	0.147	0.1513
Loa Loa (eye worm)	histone deacetylase	0.0044	0.0456	0.047
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0225	0.3793	0.3903
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Brugia malayi	MH2 domain containing protein	0.0129	0.2025	0.2084
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0546	0.9717	1
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0546	0.9717	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Leishmania major	histone deacetylase, putative	0.0099	0.147	0.1495
Schistosoma mansoni	ap endonuclease	0.002	0.002	0.0021
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Giardia lamblia	Kinase, PLK	0.0102	0.1534	0.3478
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.2025	0.2084
Schistosoma mansoni	unc-13 (munc13)	0.0022	0.0054	0.0055
Trypanosoma brucei	polo-like protein kinase	0.0102	0.1534	0.1561
Trypanosoma brucei	histone deacetylase 1	0.0099	0.147	0.1495
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Schistosoma mansoni	protein kinase C	0.0022	0.0054	0.0055
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.2025	0.2084
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0129	0.0133
Trypanosoma brucei	histone deacetylase 2	0.0044	0.0456	0.045
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0129	0.0133
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Echinococcus granulosus	RNA directed DNA polymerase	0.0119	0.1844	0.1898
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0546	0.9717	1
Brugia malayi	histone deacetylase 3 (HD3)	0.0099	0.147	0.1513
Echinococcus granulosus	sterol regulatory element binding protein	0.0225	0.3793	0.3903
Schistosoma mansoni	histone deacetylase hda2	0.0044	0.0456	0.047
Brugia malayi	Histone deacetylase family protein	0.0044	0.0456	0.047
Trypanosoma brucei	histone deacetylase 3	0.0044	0.0456	0.045
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0102	0.1534	0.1578
Entamoeba histolytica	hypothetical protein	0.0035	0.0291	0.1791
Trypanosoma cruzi	histone deacetylase 1, putative	0.0099	0.147	0.1495
Echinococcus granulosus	protein kinase c iota type	0.0044	0.0466	0.048
Echinococcus multilocularis	protein kinase c epsilon type	0.0048	0.0536	0.0552
Leishmania major	histone deacetylase, putative	0.0044	0.0456	0.045
Trypanosoma cruzi	histone deacetylase, putative	0.0044	0.0456	0.045
Loa Loa (eye worm)	hypothetical protein	0.0099	0.147	0.1513
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0026	0.0129	0.0133
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0102	0.1534	0.1578
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0026	0.0129	0.0112
Toxoplasma gondii	histone deacetylase HDAC1	0.0044	0.0456	0.3006
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0099	0.147	0.3333
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0129	0.0133
Schistosoma mansoni	fatty-acid amide hydrolase	0.0107	0.1622	0.167
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0291	0.03
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1622	0.167
Echinococcus multilocularis	histone deacetylase 6	0.0044	0.0456	0.047
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Echinococcus granulosus	histone deacetylase 1	0.0099	0.147	0.1513
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0099	0.147	0.3333
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0054	0.0055
Schistosoma mansoni	serine/threonine protein kinase	0.0167	0.2733	0.2813
Echinococcus granulosus	protein kinase C gamma type	0.0149	0.2397	0.2466
Plasmodium vivax	histone deacetylase 2, putative	0.0044	0.0456	0.3006
Trypanosoma brucei	histone deacetylase 4	0.0044	0.0456	0.045
Giardia lamblia	Histone deacetylase	0.0099	0.147	0.3333
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0026	0.0129	0.0133
Leishmania major	histone deacetylase, putative	0.0044	0.0456	0.045
Echinococcus multilocularis	histone deacetylase 1	0.0099	0.147	0.1513
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0022	0.0054	0.0055
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0102	0.1534	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0546	0.9717	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0107	0.1622	0.167
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Schistosoma mansoni	amidase	0.0107	0.1622	0.167
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0129	0.0133
Echinococcus granulosus	geminin	0.0353	0.6169	0.6349
Brugia malayi	Histone deacetylase family protein	0.0044	0.0456	0.047
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0026	0.0129	0.0133
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Brugia malayi	Protein kinase domain containing protein	0.0026	0.0129	0.0133
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Echinococcus granulosus	histone deacetylase 8	0.0044	0.0456	0.047
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.002	0.5
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0546	0.9717	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0225	0.3793	0.3903
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0225	0.3793	0.3903
Schistosoma mansoni	unc-13 (munc13)	0.0022	0.0054	0.0055
Echinococcus granulosus	histone deacetylase 6	0.0044	0.0456	0.047
Brugia malayi	p70 ribosomal S6 kinase beta	0.0026	0.0129	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0225	0.3793	0.3903
Echinococcus granulosus	Niemann Pick C1 protein	0.0225	0.3793	0.3903
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0026	0.0129	0.0133
Echinococcus granulosus	histone deacetylase 6	0.0044	0.0456	0.047
Echinococcus multilocularis	histone deacetylase 7	0.0044	0.0456	0.047
Echinococcus granulosus	NDR protein kinase	0.0026	0.0129	0.0133
Brugia malayi	hypothetical protein	0.0035	0.0291	0.03
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0586	0.13
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0099	0.147	0.3333
Plasmodium vivax	histone deacetylase 1, putative	0.0099	0.147	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0225	0.3793	0.3903
Trypanosoma cruzi	histone deacetylase, putative	0.0044	0.0456	0.045
Toxoplasma gondii	histone deacetylase HDAC5	0.0044	0.0456	0.3006
Schistosoma mansoni	histone deacetylase 4 5	0.0044	0.0456	0.047
Plasmodium vivax	histone deacetylase, putative	0.0044	0.0456	0.3006
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Loa Loa (eye worm)	histone deacetylase 11	0.0044	0.0456	0.047
Brugia malayi	histone deacetylase 1 (HD1)	0.0099	0.147	0.1513
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Plasmodium falciparum	histone deacetylase 1	0.0099	0.147	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0099	0.147	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0026	0.0129	0.0133
Toxoplasma gondii	histone deacetylase HDAC4	0.0044	0.0456	0.3006
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2181	0.2244
Schistosoma mansoni	hypothetical protein	0.0353	0.6169	0.6349
Echinococcus granulosus	histone deacetylase	0.0044	0.0456	0.047
Echinococcus multilocularis	protein dispatched 1	0.0225	0.3793	0.3903
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0546	0.9717	1
Schistosoma mansoni	serine/threonine protein kinase	0.0167	0.2733	0.2813
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0256	0.4371	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.002	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.0026	0.0129	0.0133
Toxoplasma gondii	AGC kinase	0.0026	0.0129	0.0751
Trichomonas vaginalis	histone deacetylase, putative	0.0099	0.147	0.3333
Entamoeba histolytica	hypothetical protein	0.0035	0.0291	0.1791
Echinococcus granulosus	histone deacetylase 6	0.0044	0.0456	0.047
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0026	0.0129	0.0133
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Plasmodium vivax	histone deacetylase, putative	0.0044	0.0456	0.3006
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0546	0.9717	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0291	0.03
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0102	0.1534	0.1578
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0107	0.1622	0.167
Brugia malayi	Histone deacetylase 1	0.0099	0.147	0.1513
Schistosoma mansoni	histone deacetylase	0.0099	0.147	0.1513
Plasmodium falciparum	histone deacetylase, putative	0.0044	0.0456	0.3006
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0026	0.0129	0.0133
Entamoeba histolytica	hypothetical protein	0.0035	0.0291	0.1791
Brugia malayi	Hr1 repeat family protein	0.0026	0.0129	0.0133
Echinococcus multilocularis	nuclear receptor co repressor related (ncor)	0.0333	0.5788	0.5957
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0026	0.0129	0.0133
Brugia malayi	Protein kinase c protein 2	0.0142	0.2267	0.2333
Entamoeba histolytica	protein kinase, putative	0.0026	0.0129	0.0719
Echinococcus granulosus	Protein patched homolog 1	0.0225	0.3793	0.3903
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0048	0.0536	0.0552
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.002	0.0021
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0026	0.0129	0.0133
Schistosoma mansoni	histone deacetylase	0.0099	0.147	0.1513
Echinococcus granulosus	serine:threonine protein kinase N2	0.0026	0.0129	0.0133
Trichomonas vaginalis	conserved hypothetical protein	0.0225	0.3793	0.867
Entamoeba histolytica	histone deacetylase, putative	0.0099	0.147	0.9583
Echinococcus granulosus	unc 13 munc13	0.0022	0.0054	0.0055
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.1534	0.1561
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1534	0.3478
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0102	0.1534	0.1561
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.1534	0.1578
Schistosoma mansoni	atypical protein kinase C	0.0044	0.0466	0.048
Trypanosoma cruzi	histone deacetylase, putative	0.0044	0.0456	0.045
Brugia malayi	histone deacetylase 11	0.0044	0.0456	0.047
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0026	0.0129	0.0133
Plasmodium falciparum	histone deacetylase 2	0.0044	0.0456	0.3006
Entamoeba histolytica	hypothetical protein	0.0035	0.0291	0.1791
Brugia malayi	protein kinase C II.	0.0048	0.0536	0.0552
Schistosoma mansoni	kinase	0.0052	0.0611	0.0629
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.002	0.0021
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0026	0.0129	0.0133
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.002	0.5
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0256	0.4371	1
Entamoeba histolytica	protein kinase, putative	0.0026	0.0129	0.0719
Toxoplasma gondii	histone deacetylase HDAC2	0.0099	0.147	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0456	0.047
Echinococcus multilocularis	unc 13 (munc13)	0.0022	0.0054	0.0055
Echinococcus multilocularis	serine threonine protein kinase	0.0149	0.2397	0.2466
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Trypanosoma brucei	histone deacetylase, putative	0.0044	0.0456	0.045
Echinococcus multilocularis	protein patched	0.0225	0.3793	0.3903
Echinococcus granulosus	histone deacetylase 7	0.0044	0.0456	0.047
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0256	0.4371	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0022	0.0054	0.0055
Echinococcus granulosus	Protein kinase C brain isozyme	0.0167	0.2733	0.2813
Echinococcus granulosus	protein kinase c epsilon type	0.0048	0.0536	0.0552
Loa Loa (eye worm)	histone deacetylase 7A	0.0044	0.0456	0.047
Mycobacterium ulcerans	short chain dehydrogenase	0.0561	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0026	0.0129	0.025
Echinococcus multilocularis	histone deacetylase	0.0044	0.0456	0.047
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0586	0.13
Entamoeba histolytica	protein kinase, putative	0.0026	0.0129	0.0719
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0052	0.0054
Echinococcus multilocularis	RNA directed DNA polymerase	0.0119	0.1844	0.1898
Loa Loa (eye worm)	histone deacetylase 1	0.0099	0.147	0.1513
Schistosoma mansoni	histone deacetylase 4 5	0.0044	0.0456	0.047
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0044	0.0456	0.2721

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 59 nM	Inhibition of human recombinant HDAC3/NCoR2 using fluorophore-conjugated substrate Boc-L-Lys(Ac)-AMC	ChEMBL.	21548582
IC50 (binding)	= 82 nM	Inhibition of human recombinant HDAC8 using Fluor de Lys as substrate	ChEMBL.	21548582

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1914704

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1576407