TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.298 | Formula: C17H26BrNO2
H donors: 0 H acceptors: 1 LogP: 4.57 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOc1ccc(cc1Br)C(=O)CCN(C)C
InChi: 1S/C17H26BrNO2/c1-4-5-6-7-12-21-17-9-8-14(13-15(17)18)16(20)10-11-19(2)3/h8-9,13H,4-7,10-12H2,1-3H3
InChiKey: BWQLNSCWGRGBIF-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	thyroid hormone receptor, beta	Starlite/ChEMBL	References
Homo sapiens	thyroid hormone receptor, alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Loa Loa (eye worm)	nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853
Brugia malayi	Nuclear hormone receptor-like 1	Get druggable targets OG5_156853	All targets in OG5_156853

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, alpha	451 aa	372 aa	25.3 %
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.067	0.0968	0.0968
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0872	0.1498	0.2332
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2122	0.4765	1
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0637	0.0882	0.0885
Echinococcus multilocularis	cysteine protease	0.2122	0.4765	0.4487
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4124	1	1
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Entamoeba histolytica	cysteine proteinase, putative	0.1162	0.2256	0.411
Onchocerca volvulus		0.2122	0.4765	1
Trypanosoma cruzi	cysteine proteinase, putative	0.1162	0.2256	0.1844
Echinococcus multilocularis	cathepsin b	0.4124	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.1162	0.2256	0.411
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Brugia malayi	Cathepsin L-like precursor	0.1452	0.3014	0.3012
Trypanosoma cruzi	cysteine peptidase, putative	0.2771	0.6462	0.6274
Leishmania major	cathepsin L-like protease	0.2122	0.4765	0.4382
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1452	0.3014	0.589
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1616	0.3441	0.6893
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Echinococcus granulosus	cysteine protease	0.1162	0.2256	0.1844
Onchocerca volvulus		0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Onchocerca volvulus		0.2122	0.4765	1
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2122	0.4765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2122	0.4765	0.4487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Entamoeba histolytica	cysteine proteinase 2	0.1162	0.2256	0.411
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.1162	0.2256	0.1844
Loa Loa (eye worm)	cathepsin B	0.1616	0.3441	0.3441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0872	0.1498	0.2332
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0703	0.1056	0.1053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0703	0.1056	0.1294
Echinococcus granulosus	cathepsin b	0.4124	1	1
Echinococcus granulosus	cathepsin b	0.4124	1	1
Leishmania major	cathepsin L-like protease	0.2122	0.4765	0.4382
Loa Loa (eye worm)	hypothetical protein	0.2122	0.4765	0.4765
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Giardia lamblia	Cathepsin B precursor	0.1616	0.3441	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0872	0.1498	0.1587
Trypanosoma cruzi	cysteine peptidase, putative	0.2771	0.6462	0.6274
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0492	0.0505	0.0505
Loa Loa (eye worm)	hypothetical protein	0.1452	0.3014	0.3014
Trypanosoma cruzi	cysteine peptidase, putative	0.067	0.0968	0.0488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0703	0.1056	0.1294
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.067	0.0968	0.0965
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0703	0.1056	0.1294
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1616	0.3441	0.3093
Brugia malayi	Cathepsin L-like precursor	0.1452	0.3014	0.3012
Brugia malayi	Papain family cysteine protease containing protein	0.1162	0.2256	0.2253
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Echinococcus multilocularis	cysteine protease	0.2122	0.4765	0.4487
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1452	0.3014	0.3012
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1616	0.3441	0.3093
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2122	0.4765	1
Echinococcus granulosus	cathepsin L cysteine protease	0.1162	0.2256	0.1844
Onchocerca volvulus		0.2122	0.4765	1
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Giardia lamblia	Cathepsin B precursor	0.1616	0.3441	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1162	0.2256	0.411
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1162	0.2256	0.1844
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0872	0.1498	0.1046
Brugia malayi	cathepsin F-like cysteine proteinase	0.067	0.0968	0.0965
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1616	0.3441	0.2819
Onchocerca volvulus		0.2122	0.4765	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2122	0.4765	0.4765
Entamoeba histolytica	cysteine proteinase, putative	0.1162	0.2256	0.411
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1162	0.2256	0.1844
Schistosoma mansoni	cathepsin F (C01 family)	0.1452	0.3014	0.2643
Brugia malayi	Papain family cysteine protease containing protein	0.0492	0.0505	0.0501
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Echinococcus granulosus	cathepsin l1	0.1452	0.3014	0.2643
Plasmodium vivax	vivapain-2	0.2122	0.4765	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.2122	0.4765	0.4487
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2122	0.4765	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2122	0.4765	0.4487
Onchocerca volvulus	Cathepsin L homolog	0.2122	0.4765	1
Leishmania major	cathepsin L-like protease	0.2122	0.4765	0.4382
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0728	0.1121	0.1447
Trypanosoma cruzi	cysteine peptidase, putative	0.2122	0.4765	0.4487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0703	0.1056	0.1294
Toxoplasma gondii	cathepsin B	0.1616	0.3441	0.6591
Onchocerca volvulus		0.2122	0.4765	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0492	0.0505	0.0501
Entamoeba histolytica	cysteine proteinase, putative	0.1162	0.2256	0.411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Echinococcus granulosus	cathepsin L	0.1162	0.2256	0.1844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0637	0.0882	0.1283
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Giardia lamblia	Cathepsin B precursor	0.1616	0.3441	1
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Brugia malayi	Papain family cysteine protease containing protein	0.0492	0.0505	0.0501
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Brugia malayi	cathepsin L-like precursor	0.1452	0.3014	0.3012
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4124	1	1
Loa Loa (eye worm)	ctsf protein	0.2122	0.4765	0.4765
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0703	0.1056	0.1056
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Brugia malayi	fibroinase precursor	0.0492	0.0505	0.0501
Leishmania major	cathepsin L-like protease	0.2122	0.4765	0.4382
Brugia malayi	Papain family cysteine protease containing protein	0.2122	0.4765	0.4763
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1452	0.3014	0.589
Plasmodium vivax	vivapain-1	0.1162	0.2256	0.411
Loa Loa (eye worm)	cysteine protease	0.2122	0.4765	0.4765
Entamoeba histolytica	cysteine protease, putative	0.2122	0.4765	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0872	0.1498	0.3383
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1162	0.2256	0.1844
Echinococcus granulosus	cathepsin l1	0.2122	0.4765	0.4487
Loa Loa (eye worm)	hypothetical protein	0.067	0.0968	0.0968
Onchocerca volvulus	Cathepsin F homolog	0.2122	0.4765	1
Loa Loa (eye worm)	hypothetical protein	0.4124	1	1
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Onchocerca volvulus		0.1452	0.3014	0.589
Loa Loa (eye worm)	fibroinase	0.2122	0.4765	0.4765
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0872	0.1498	0.2332
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.4124	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.1452	0.3014	0.589
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Trypanosoma cruzi	cruzipain precursor, putative	0.2771	0.6462	0.6274
Leishmania major	cathepsin L-like protease	0.2771	0.6462	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.1142	0.2202	0.1787
Loa Loa (eye worm)	hypothetical protein	0.1452	0.3014	0.3014
Brugia malayi	cathepsin L precursor	0.0492	0.0505	0.0501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Giardia lamblia	Cathepsin B precursor	0.0703	0.1056	0.1878
Brugia malayi	Papain family cysteine protease containing protein	0.1162	0.2256	0.2253
Entamoeba histolytica	cysteine proteinase, putative	0.1162	0.2256	0.411
Leishmania major	cathepsin L-like protease	0.2122	0.4765	0.4382
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2122	0.4765	0.4765
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Onchocerca volvulus	Cathepsin L homolog	0.2122	0.4765	1
Schistosoma mansoni	cathepsin s	0.067	0.0968	0.0488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0492	0.0505	0.0501
Brugia malayi	Cathepsin L-like precursor	0.067	0.0968	0.0965
Toxoplasma gondii	cathepsin CPC1	0.0872	0.1498	0.1587
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0637	0.0882	0.1283
Trypanosoma cruzi	cysteine peptidase, putative	0.2771	0.6462	0.6274
Trypanosoma cruzi	cysteine proteinase, putative	0.1162	0.2256	0.1844
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0492	0.0505	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0301	0.0004	0.0004
Brugia malayi	Papain family cysteine protease containing protein	0.0492	0.0505	0.0501
Brugia malayi	Nuclear hormone receptor-like 1	0.0312	0.0034	0.003
Plasmodium vivax	unspecified product	0.067	0.0968	0.1088
Leishmania major	cysteine peptidase A (CPA)	0.2122	0.4765	0.4382
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Loa Loa (eye worm)	hypothetical protein	0.067	0.0968	0.0968
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.1162	0.2256	0.1844
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0703	0.1056	0.1053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Echinococcus multilocularis	cathepsin L	0.1162	0.2256	0.1844
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Leishmania major	cathepsin L-like protease	0.2771	0.6462	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.4124	1	1
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.2101	0.4711	0.443
Brugia malayi	Cathepsin L-like precursor	0.2122	0.4765	0.4763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.067	0.0968	0.0968
Entamoeba histolytica	cysteine proteinase, putative	0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1162	0.2256	0.411
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0872	0.1498	0.2332
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2771	0.6462	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2122	0.4765	0.4487
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Trypanosoma cruzi	cruzipain precursor, putative	0.067	0.0968	0.0488
Entamoeba histolytica	cysteine proteinase, putative	0.2122	0.4765	1
Trypanosoma cruzi	cysteine protease, putative	0.1162	0.2256	0.1844
Plasmodium vivax	vivapain-3	0.1162	0.2256	0.411
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0637	0.0882	0.0885
Entamoeba histolytica	cysteine proteinase 1, putative	0.1162	0.2256	0.411
Entamoeba histolytica	cysteine protease, putative	0.1162	0.2256	0.411
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2122	0.4765	0.4487
Loa Loa (eye worm)	hypothetical protein	0.0492	0.0505	0.0505
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Loa Loa (eye worm)	hypothetical protein	0.1452	0.3014	0.3014
Schistosoma mansoni	cathepsin F (C01 family)	0.2122	0.4765	0.4487
Leishmania major	cathepsin L-like protease	0.2771	0.6462	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.2122	0.4765	0.4487
Schistosoma mansoni	cathepsin F (C01 family)	0.2122	0.4765	0.4487
Toxoplasma gondii	cathepsin CPL	0.2122	0.4765	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.4124	1	1
Giardia lamblia	Encystation-specific protease	0.0637	0.0882	0.1283
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2122	0.4765	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2122	0.4765	1
Echinococcus multilocularis	cathepsin b	0.4124	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0492	0.0505	0.0505
Plasmodium vivax	unspecified product	0.1162	0.2256	0.411
Plasmodium vivax	vivapain-2	0.2122	0.4765	1
Onchocerca volvulus		0.2122	0.4765	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 33 uM	Cytotoxicity against human HepG2 cells after 48 hrs by luminescence cell viability assay	ChEMBL.	19469546
IC50 (binding)	= 2.3 uM	Inhibition of SRC2 binding to TRalpha receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	19469546
IC50 (binding)	= 2.6 uM	Inhibition of SRC2 binding to human TRbeta receptor ligand binding domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay	ChEMBL.	19469546

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: CHEMBL559716

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 1053322