TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.223 | Formula: C19H15BrO5
H donors: 1 H acceptors: 2 LogP: 3.7 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1Br)c1cc3c(O)cc(=O)oc3cc1OC2(C)C
InChi: 1S/C19H15BrO5/c1-19(2)12-6-17(23-3)13(20)5-9(12)10-4-11-14(21)7-18(22)24-15(11)8-16(10)25-19/h4-8,21H,1-3H3
InChiKey: ULYGXJAITFKDGE-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Brugia malayi	calpain 7	0.0022	0.0486	0.0486
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.0486
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.0486
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.1763
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Brugia malayi	Cathepsin L-like precursor	0.0021	0.0369	0.0369
Brugia malayi	Papain family cysteine protease containing protein	0.0029	0.095	0.095
Loa Loa (eye worm)	cysteine protease	0.0029	0.095	0.095
Trypanosoma cruzi	cysteine peptidase, putative	0.0029	0.095	0.095
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.3157	0.3089
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.0486
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0029	0.095	0.095
Trypanosoma cruzi	cysteine protease, putative	0.0017	0.0098	0.0098
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0021	0.0369	0.0369
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0029	0.095	1
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.1763
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0029	0.095	0.086
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Echinococcus granulosus	calpain A	0.0022	0.0486	0.0392
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.1763
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0029	0.095	0.086
Onchocerca volvulus		0.0029	0.095	0.4962
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.2759	0.2688
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Trypanosoma cruzi	cysteine peptidase, putative	0.0029	0.095	0.095
Echinococcus granulosus	calpain 7 C02 family	0.0022	0.0486	0.0392
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Schistosoma mansoni	cathepsin F (C01 family)	0.0029	0.095	0.086
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0022	0.0486	0.0392
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0054	0.2759	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.0486
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Entamoeba histolytica	cysteine proteinase, putative	0.0029	0.095	1
Leishmania major	cysteine peptidase A (CPA)	0.0029	0.095	0.3442
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.0486
Loa Loa (eye worm)	calpain family protein 1	0.0044	0.2026	0.2026
Trypanosoma cruzi	cysteine peptidase, putative	0.0029	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0021	0.0369	0.1018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0369	0.0369
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0029	0.095	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2026	0.2026
Trypanosoma cruzi	cysteine peptidase, putative	0.0029	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.0486
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Plasmodium vivax	calpain, putative	0.0022	0.0486	0.456
Echinococcus granulosus	calpain	0.0022	0.0486	0.0392
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Brugia malayi	calpain family protein 1	0.0059	0.3157	0.3157
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Echinococcus granulosus	cathepsin l1	0.0021	0.0369	0.0274
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0017	0.0098	0.0355
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0098	0.103
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Loa Loa (eye worm)	hypothetical protein	0.0154	1	1
Trypanosoma brucei	antigen, putative	0.0022	0.0486	0.1763
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0486	0.0392
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Loa Loa (eye worm)	calpain	0.0022	0.0486	0.0486
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.1763
Schistosoma mansoni	cathepsin F (C01 family)	0.0029	0.095	0.086
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0062	0.3351	0.3286
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Entamoeba histolytica	cysteine proteinase 2	0.0017	0.0098	0.103
Echinococcus granulosus	cathepsin b	0.0154	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Echinococcus multilocularis	cysteine protease	0.0029	0.095	0.086
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Echinococcus multilocularis	cathepsin L cysteine protease	0.0029	0.095	0.086
Echinococcus multilocularis	calpain A	0.0062	0.3351	0.3286
Entamoeba histolytica	cysteine proteinase, putative	0.0021	0.0369	0.3884
Plasmodium vivax	vivapain-2	0.0029	0.095	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0017	0.0098	0.0098
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0029	0.095	0.086
Echinococcus multilocularis	calpain family protein 1, d	0.0044	0.2026	0.1947
Loa Loa (eye worm)	cathepsin B	0.0054	0.2759	0.2759
Entamoeba histolytica	cysteine proteinase, putative	0.0029	0.095	1
Onchocerca volvulus		0.0029	0.095	0.4962
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.0486
Echinococcus multilocularis	calpain 5	0.0022	0.0486	0.0392
Brugia malayi	Cathepsin L-like precursor	0.0029	0.095	0.095
Loa Loa (eye worm)	fibroinase	0.0029	0.095	0.095
Schistosoma mansoni	cathepsin F (C01 family)	0.0021	0.0369	0.0274
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0054	0.2759	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Echinococcus granulosus	cathepsin b	0.0154	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0029	0.095	0.095
Echinococcus multilocularis	calpain	0.0022	0.0486	0.0392
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Entamoeba histolytica	cysteine protease, putative	0.0029	0.095	1
Onchocerca volvulus		0.0029	0.095	0.4962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0017	0.0098	0.0355
Echinococcus granulosus	cathepsin l1	0.0029	0.095	0.086
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0486	0.1763
Echinococcus multilocularis	cysteine protease	0.0029	0.095	0.086
Brugia malayi	Cathepsin L-like precursor	0.0021	0.0369	0.0369
Brugia malayi	calpain family protein 1	0.0059	0.3157	0.3157
Onchocerca volvulus	Cathepsin F homolog	0.0029	0.095	0.4962
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0054	0.2759	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Echinococcus multilocularis	calpain 7 (C02 family)	0.0022	0.0486	0.0392
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0029	0.095	0.3201
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0486	0.1763
Giardia lamblia	Cathepsin B precursor	0.0054	0.2759	0.5
Loa Loa (eye worm)	calpain family protein 1	0.0059	0.3157	0.3157
Loa Loa (eye worm)	hypothetical protein	0.0059	0.3157	0.3157
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0154	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0017	0.0098	0.103
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Echinococcus multilocularis	cathepsin L cysteine protease	0.0029	0.095	0.086
Echinococcus multilocularis	cathepsin b	0.0154	1	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Schistosoma mansoni	calpain (C02 family)	0.0022	0.0486	0.0392
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Toxoplasma gondii	cathepsin B	0.0054	0.2759	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0486	0.0392
Onchocerca volvulus		0.0029	0.095	0.4962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.1763
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Onchocerca volvulus	Cathepsin L homolog	0.0029	0.095	0.4962
Schistosoma mansoni	calpain C (C02 family)	0.0022	0.0486	0.0392
Echinococcus granulosus	calpain 5	0.0022	0.0486	0.0392
Plasmodium vivax	vivapain-2	0.0029	0.095	1
Onchocerca volvulus	Cathepsin L homolog	0.0029	0.095	0.4962
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0098	0.0098
Onchocerca volvulus		0.0029	0.095	0.4962
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0062	0.3351	0.3286
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Onchocerca volvulus		0.0029	0.095	0.4962
Onchocerca volvulus		0.0037	0.1539	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0098	0.103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Echinococcus multilocularis	cathepsin b	0.0154	1	1
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0022	0.0486	0.0486
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0029	0.095	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0369	0.0369
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0029	0.095	0.095
Giardia lamblia	Cathepsin B precursor	0.0054	0.2759	0.5
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0154	1	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0486	0.0486
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0017	0.0098	0.0098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1539	0.1539
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0029	0.095	0.3201
Giardia lamblia	Cathepsin B precursor	0.0054	0.2759	0.5
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0486	0.1763
Brugia malayi	cathepsin L-like precursor	0.0021	0.0369	0.0369
Loa Loa (eye worm)	ctsf protein	0.0029	0.095	0.095
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0021	0.0369	0.1018
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0486	0.0486
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0062	0.3351	0.3286
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0098	0.103
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Trypanosoma cruzi	cysteine proteinase, putative	0.0017	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2671	0.2671
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Echinococcus granulosus	calpain A	0.0062	0.3351	0.3286
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0062	0.3351	0.3286
Leishmania major	cathepsin L-like protease	0.0029	0.095	0.3442
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0029	0.095	0.086
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0369	0.0369
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0029	0.095	0.3442
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0054	0.2759	0.2759
Echinococcus multilocularis	hypothetical protein	0.0022	0.0486	0.0392
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0486	0.1763
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0021	0.0369	0.0369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.095	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0029	0.095	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0029	0.095	0.095
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0098	0.103
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0098	0.103
Onchocerca volvulus		0.0029	0.095	0.4962
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0098	0.0098

Activities

No activities found for this compound.

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: CHEMBL3306037

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1903376