TDR Targets

Basic information

Technical information

TDR Targets ID: 1461499
Name: N-hydroxy-2-[(6-methyl-2-oxochromen-3-yl)meth yl]-6-phenylhexanamide
MW: 379.449 | Formula: C23H25NO4
H donors: 2 H acceptors: 3 LogP: 4.73 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)C(Cc1cc2cc(C)ccc2oc1=O)CCCCc1ccccc1
InChi: 1S/C23H25NO4/c1-16-11-12-21-19(13-16)15-20(23(26)28-21)14-18(22(25)24-27)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-13,15,18,27H,5-6,9-10,14H2,1H3,(H,24,25)
InChiKey: OORDDBSQINIMJU-UHFFFAOYSA-N

Network

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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

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Clustering layers

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Synonyms

2-[(6-methyl-2-oxo-chromen-3-yl)methyl]-6-phenyl-hexanehydroxamic acid
2-[(6-methyl-2-oxo-3-chromenyl)methyl]-6-phenylhexanehydroxamic acid
2-[(2-keto-6-methyl-chromen-3-yl)methyl]-6-phenyl-hexanehydroxamic acid
N-hydroxy-2-[(6-methyl-2-oxo-chromen-3-yl)methyl]-6-phenyl-hexanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ADAM metallopeptidase domain 17	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K06059 a disintegrin and metalloproteinase domain 17, putative	Get druggable targets OG5_132656	All targets in OG5_132656
Schistosoma mansoni	ADAM17 peptidase (M12 family)	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	Get druggable targets OG5_132656	All targets in OG5_132656
Echinococcus multilocularis	adam 17 protease	Get druggable targets OG5_132656	All targets in OG5_132656

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Disintegrin family protein	ADAM metallopeptidase domain 17	824 aa	724 aa	27.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0648	0.6156	1
Trypanosoma cruzi	histone deacetylase, putative	0.0193	0.0645	0.0638
Echinococcus multilocularis	adam 17 protease	0.0223	0.1005	0.1005
Schistosoma mansoni	cathepsin F (C01 family)	0.0442	0.3663	0.3659
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0396	0.3098	0.3093
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0648	0.6156	1
Plasmodium vivax	unspecified product	0.0206	0.08	0.1288
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Plasmodium vivax	vivapain-2	0.0648	0.6156	1
Brugia malayi	Histone deacetylase 1	0.0408	0.3248	0.3243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Brugia malayi	Cathepsin L-like precursor	0.0442	0.3663	0.3659
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0648	0.6156	0.6156
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Loa Loa (eye worm)	hypothetical protein	0.0468	0.3977	0.3973
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0966	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0443	0.3666	0.3666
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0206	0.08	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0442	0.3663	0.3659
Loa Loa (eye worm)	hypothetical protein	0.0408	0.3248	0.3243
Trypanosoma brucei	histone deacetylase 4	0.0443	0.3666	0.5482
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0408	0.3248	0.3243
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0966	1	1
Plasmodium vivax	vivapain-3	0.0346	0.25	0.4054
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Echinococcus multilocularis	cathepsin b	0.0966	1	1
Brugia malayi	cathepsin L-like precursor	0.0442	0.3663	0.3659
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Loa Loa (eye worm)	hypothetical protein	0.0206	0.08	0.0793
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0206	0.08	0.0793
Entamoeba histolytica	histone deacetylase, putative	0.0408	0.3248	0.527
Giardia lamblia	Cathepsin B precursor	0.0396	0.3098	0.9537
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0966	1	1
Giardia lamblia	Histone deacetylase	0.0408	0.3248	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0443	0.3666	0.3662
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0408	0.3248	0.527
Echinococcus multilocularis	histone deacetylase 8	0.0193	0.0645	0.0645
Onchocerca volvulus	Cathepsin L homolog	0.0648	0.6156	1
Plasmodium vivax	histone deacetylase, putative	0.0443	0.3666	0.5951
Brugia malayi	histone deacetylase 3 (HD3)	0.0408	0.3248	0.3243
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Echinococcus granulosus	cathepsin b	0.0966	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0408	0.3248	0.3243
Onchocerca volvulus	Cathepsin L homolog	0.0648	0.6156	1
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.0223	0.1005	0.0999
Loa Loa (eye worm)	ctsf protein	0.0648	0.6156	0.6153
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0648	0.6156	0.6156
Entamoeba histolytica	cysteine proteinase 1, putative	0.0346	0.25	0.4054
Brugia malayi	histone deacetylase 11	0.0193	0.0645	0.0638
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0648	0.6156	1
Trypanosoma brucei	histone deacetylase 1	0.0408	0.3248	0.4723
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0648	0.6156	0.6156
Leishmania major	histone deacetylase, putative	0.0408	0.3248	0.0491
Entamoeba histolytica	cysteine proteinase, putative	0.0346	0.25	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Loa Loa (eye worm)	histone deacetylase	0.0443	0.3666	0.3662
Loa Loa (eye worm)	histone deacetylase 1	0.0408	0.3248	0.3243
Echinococcus granulosus	cathepsin L cysteine protease	0.0346	0.25	0.25
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Echinococcus granulosus	adam 17 protease	0.0245	0.1274	0.1274
Schistosoma mansoni	cathepsin s	0.0206	0.08	0.0793
Echinococcus granulosus	histone deacetylase	0.0443	0.3666	0.3666
Echinococcus granulosus	histone deacetylase 7	0.0443	0.3666	0.3666
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0648	0.6156	1
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trypanosoma cruzi	histone deacetylase, putative	0.0443	0.3666	0.3662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0346	0.25	0.3367
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0442	0.3663	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0442	0.3663	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0346	0.25	0.2495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0206	0.08	0.0793
Echinococcus granulosus	histone deacetylase 1	0.0408	0.3248	0.3248
Echinococcus multilocularis	histone deacetylase 3	0.0408	0.3248	0.3248
Onchocerca volvulus		0.0648	0.6156	1
Onchocerca volvulus		0.0648	0.6156	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0966	1	1
Plasmodium vivax	unspecified product	0.0346	0.25	0.4054
Echinococcus multilocularis	cathepsin b	0.0966	1	1
Loa Loa (eye worm)	histone deacetylase 11	0.0193	0.0645	0.0638
Onchocerca volvulus		0.0442	0.3663	0.5946
Echinococcus granulosus	cathepsin l1	0.0442	0.3663	0.3663
Leishmania major	histone deacetylase, putative	0.0443	0.3666	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0442	0.3663	0.3659
Plasmodium vivax	histone deacetylase 1, putative	0.0408	0.3248	0.527
Loa Loa (eye worm)	hypothetical protein	0.0206	0.08	0.0793
Echinococcus granulosus	cathepsin L	0.0346	0.25	0.25
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Toxoplasma gondii	histone deacetylase HDAC3	0.0408	0.3248	0.527
Echinococcus multilocularis	histone deacetylase 1	0.0408	0.3248	0.3248
Trypanosoma cruzi	cysteine peptidase, putative	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Brugia malayi	Papain family cysteine protease containing protein	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Leishmania major	cysteine peptidase A (CPA)	0.0648	0.6156	1
Echinococcus multilocularis	histone deacetylase 6	0.045	0.3755	0.3755
Plasmodium falciparum	histone deacetylase, putative	0.0443	0.3666	0.5951
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0648	0.6156	0.6156
Echinococcus multilocularis	cathepsin L	0.0346	0.25	0.25
Brugia malayi	Histone deacetylase family protein	0.0443	0.3666	0.3662
Schistosoma mansoni	histone deacetylase 4 5	0.0443	0.3666	0.3662
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0396	0.3098	0.4451
Echinococcus granulosus	cysteine protease	0.0346	0.25	0.25
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Plasmodium falciparum	histone deacetylase 1	0.0408	0.3248	0.527
Entamoeba histolytica	cysteine proteinase 2	0.0346	0.25	0.4054
Schistosoma mansoni	histone deacetylase hda2	0.0193	0.0645	0.0638
Onchocerca volvulus		0.0648	0.6156	1
Loa Loa (eye worm)	hypothetical protein	0.025	0.1329	0.1322
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0206	0.08	0.0793
Echinococcus multilocularis	cysteine protease	0.0648	0.6156	0.6156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0346	0.25	0.4054
Trypanosoma cruzi	histone deacetylase, putative	0.0443	0.3666	0.3662
Trypanosoma brucei	histone deacetylase 3	0.0443	0.3666	0.5482
Onchocerca volvulus	Cathepsin F homolog	0.0648	0.6156	1
Echinococcus multilocularis	cysteine protease	0.0648	0.6156	0.6156
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Onchocerca volvulus		0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Plasmodium vivax	vivapain-2	0.0648	0.6156	1
Echinococcus granulosus	cathepsin L	0.014	0.0007	0.0007
Entamoeba histolytica	cysteine proteinase, putative	0.0648	0.6156	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0396	0.3098	0.3093
Schistosoma mansoni	cathepsin F (C01 family)	0.0648	0.6156	0.6153
Trypanosoma cruzi	cysteine peptidase, putative	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0346	0.25	0.4054
Schistosoma mansoni	histone deacetylase hda2	0.045	0.3755	0.375
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0346	0.25	0.3367
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Echinococcus granulosus	histone deacetylase 6	0.0443	0.3666	0.3666
Schistosoma mansoni	cathepsin F (C01 family)	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0442	0.3663	0.5946
Toxoplasma gondii	cathepsin CPL	0.0648	0.6156	1
Toxoplasma gondii	histone deacetylase HDAC4	0.0193	0.0645	0.1036
Trypanosoma cruzi	cysteine proteinase, putative	0.0346	0.25	0.2495
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0346	0.25	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0193	0.0645	0.0638
Entamoeba histolytica	cysteine proteinase, putative	0.0346	0.25	0.4054
Schistosoma mansoni	histone deacetylase 1 2 3	0.0193	0.0645	0.0638
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Toxoplasma gondii	histone deacetylase HDAC5	0.0193	0.0645	0.1036
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0966	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Onchocerca volvulus		0.0648	0.6156	1
Brugia malayi	Histone deacetylase family protein	0.0443	0.3666	0.3662
Loa Loa (eye worm)	cysteine protease	0.0648	0.6156	0.6153
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0206	0.08	0.0793
Trypanosoma cruzi	cysteine peptidase, putative	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Echinococcus multilocularis	histone deacetylase 7	0.0443	0.3666	0.3666
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0648	0.6156	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0648	0.6156	0.6153
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Plasmodium vivax	histone deacetylase, putative	0.0193	0.0645	0.1036
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0408	0.3248	0.527
Loa Loa (eye worm)	hypothetical protein	0.0442	0.3663	0.3659
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Entamoeba histolytica	cysteine proteinase, putative	0.0346	0.25	0.4054
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Schistosoma mansoni	histone deacetylase	0.0408	0.3248	0.3243
Echinococcus multilocularis	histone deacetylase 6	0.0443	0.3666	0.3666
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Toxoplasma gondii	cathepsin B	0.0396	0.3098	0.5026
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0346	0.25	0.2495
Loa Loa (eye worm)	cathepsin B	0.0396	0.3098	0.3093
Echinococcus granulosus	histone deacetylase 3	0.0408	0.3248	0.3248
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0648	0.6156	1
Brugia malayi	Cathepsin L-like precursor	0.0442	0.3663	0.3659
Plasmodium vivax	vivapain-1	0.0346	0.25	0.4054
Schistosoma mansoni	histone deacetylase 4 5	0.0443	0.3666	0.3662
Plasmodium falciparum	histone deacetylase 2	0.0443	0.3666	0.5951
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0648	0.6156	1
Onchocerca volvulus		0.0648	0.6156	1
Giardia lamblia	Cathepsin B precursor	0.0396	0.3098	0.9537
Giardia lamblia	Cathepsin B precursor	0.0396	0.3098	0.9537
Trichomonas vaginalis	histone deacetylase, putative	0.0408	0.3248	0.527
Trypanosoma cruzi	cysteine peptidase, putative	0.0648	0.6156	0.6153
Leishmania major	histone deacetylase, putative	0.0443	0.3666	0.1859
Echinococcus granulosus	histone deacetylase 6	0.0443	0.3666	0.3666
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0193	0.0645	0.1036
Leishmania major	cathepsin L-like protease	0.0648	0.6156	1
Schistosoma mansoni	histone deacetylase	0.0408	0.3248	0.3243
Brugia malayi	histone deacetylase 1 (HD1)	0.0408	0.3248	0.3243
Loa Loa (eye worm)	histone deacetylase 3	0.0408	0.3248	0.3243
Entamoeba histolytica	cysteine proteinase, putative	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0346	0.25	0.2495
Toxoplasma gondii	histone deacetylase HDAC1	0.0443	0.3666	0.5951
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0442	0.3663	0.3659
Brugia malayi	Papain family cysteine protease containing protein	0.0346	0.25	0.2495
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0346	0.25	0.2495
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0648	0.6156	0.6153
Trypanosoma cruzi	histone deacetylase, putative	0.0193	0.0645	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0966	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0442	0.3663	0.3659
Echinococcus granulosus	cathepsin b	0.0966	1	1
Echinococcus multilocularis	histone deacetylase	0.0443	0.3666	0.3666
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0396	0.3098	0.5026
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0648	0.6156	0.6153
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Loa Loa (eye worm)	fibroinase	0.0648	0.6156	0.6153
Entamoeba histolytica	cysteine protease, putative	0.0648	0.6156	1
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Echinococcus granulosus	histone deacetylase 6	0.045	0.3755	0.3755
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Trypanosoma cruzi	cysteine protease, putative	0.0346	0.25	0.2495
Brugia malayi	Papain family cysteine protease containing protein	0.0346	0.25	0.2495
Trypanosoma brucei	histone deacetylase, putative	0.0443	0.3666	0.5482
Toxoplasma gondii	histone deacetylase HDAC2	0.0408	0.3248	0.527
Echinococcus granulosus	histone deacetylase 8	0.0193	0.0645	0.0645
Trypanosoma cruzi	cysteine peptidase, putative	0.0346	0.25	0.2495
Trypanosoma cruzi	cysteine proteinase, putative	0.0346	0.25	0.2495
Trypanosoma cruzi	cruzipain precursor, putative	0.0648	0.6156	0.6153
Echinococcus multilocularis	cathepsin L	0.014	0.0007	0.0007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0648	0.6156	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0648	0.6156	1
Echinococcus granulosus	cathepsin l1	0.0648	0.6156	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1417	0.141
Leishmania major	histone deacetylase, putative	0.0408	0.3248	0.0491
Entamoeba histolytica	cysteine protease, putative	0.0346	0.25	0.4054
Plasmodium vivax	histone deacetylase 2, putative	0.0443	0.3666	0.5951
Brugia malayi	Cathepsin L-like precursor	0.0648	0.6156	0.6153
Brugia malayi	Cathepsin L-like precursor	0.0206	0.08	0.0793
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0648	0.6156	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0206	0.08	0.0793
Trypanosoma cruzi	histone deacetylase, putative	0.0443	0.3666	0.3662
Entamoeba histolytica	cysteine proteinase, putative	0.0346	0.25	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0648	0.6156	0.6156
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0408	0.3248	0.527

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)		Inhibition of NO production in mouse Raw 264.7 cells assessed as No2- accumulation in the medium after 24 hrs	ChEMBL.	21078557
IC50 (binding)	= 0.03282 uM	Inhibition of human TACE by fluorescent spectroscopy	ChEMBL.	21078557
IC50 (functional)	> 3 uM	Inhibition of human TNF-alpha by fluorescent spectroscopy	ChEMBL.	21078557

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: CHEMBL1630099

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1461499