TDR Targets

Basic information

Technical information

TDR Targets ID: 984873
Name: 3,4-dibromo-6-[(2,3-dibromo-4,5-dihydroxyphen yl)methyl]-5-(methoxymethyl)benzene-1,2-diol
MW: 591.869 | Formula: C15H12Br4O5
H donors: 4 H acceptors: 4 LogP: 4.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: COCc1c(Cc2cc(O)c(c(c2Br)Br)O)c(O)c(c(c1Br)Br)O
InChi: 1S/C15H12Br4O5/c1-24-4-7-6(13(21)15(23)12(19)10(7)17)2-5-3-8(20)14(22)11(18)9(5)16/h3,20-23H,2,4H2,1H3
InChiKey: QWSVGLPQWGUHDB-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

3,4-dibromo-6-[(2,3-dibromo-4,5-dihydroxy-phenyl)methyl]-5-(methoxymethyl)benzene-1,2-diol
3,4-dibromo-6-(2,3-dibromo-4,5-dihydroxy-benzyl)-5-(methoxymethyl)pyrocatechol

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
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0046	0.0022	0.5
Brugia malayi	hypothetical protein	0.0046	0.0022	0.0022
Toxoplasma gondii	subtilisin SUB5	0.0181	0.0357	1
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Brugia malayi	Sex muscle abnormal protein 5	0.0134	0.0239	0.0239
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0181	0.0357	0.0449
Brugia malayi	celfurPC protein	0.3238	0.7961	0.7961
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0181	0.0357	1
Echinococcus granulosus	epidermal growth factor receptor	0.0396	0.0892	0.0892
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Schistosoma mansoni	hypothetical protein	0.082	0.1946	0.1946
Loa Loa (eye worm)	hypothetical protein	0.4058	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.2488	0.6096	1
Loa Loa (eye worm)	WD40 repeat protein	0.0209	0.0426	0.0426
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0069	0.0077	0.2159
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0181	0.0357	1
Toxoplasma gondii	subtilisin SUB2	0.0181	0.0357	1
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0181	0.0357	1
Brugia malayi	hypothetical protein	0.0067	0.0074	0.0074
Schistosoma mansoni	amine oxidase	0.0069	0.0077	0.0077
Brugia malayi	Will die slowly protein	0.0209	0.0426	0.0426
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0181	0.0357	0.0357
Onchocerca volvulus		0.0209	0.0426	0.5222
Loa Loa (eye worm)	hypothetical protein	0.0337	0.0746	0.0746
Schistosoma mansoni	amine oxidase	0.0069	0.0077	0.0077
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0658	0.1542	0.1542
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.2488	0.6096	0.7657
Echinococcus granulosus	MAM	0.0067	0.0074	0.0074
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0069	0.0077	0.0077
Plasmodium vivax	subtilisin-like serine protease, putative	0.0181	0.0357	1
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0181	0.0357	1
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Schistosoma mansoni	hypothetical protein	0.0067	0.0074	0.0074
Echinococcus multilocularis	protein will die slowly	0.0209	0.0426	0.0536
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Loa Loa (eye worm)	hypothetical protein	0.0366	0.0817	0.0817
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.2488	0.6096	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.007	0.0081	0.0081
Plasmodium falciparum	subtilisin-like protease 2	0.0181	0.0357	1
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0181	0.0357	0.8804
Toxoplasma gondii	subtilisin SUB1	0.0181	0.0357	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0134	0.0239	0.0239
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0181	0.0357	1
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0181	0.0357	0.0357
Loa Loa (eye worm)	subtilase	0.0181	0.0357	0.0357
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.4058	1	1
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0181	0.0357	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0077	0.0077
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0396	0.0892	0.0892
Echinococcus granulosus	neuroendocrine convertase 2	0.2571	0.6301	0.6301
Trypanosoma cruzi	subtilisin peptidase	0.0181	0.0357	0.8804
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0181	0.0357	1
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Trypanosoma brucei	subtilisin peptidase	0.0181	0.0357	0.8804
Onchocerca volvulus		0.0108	0.0175	0.2141
Onchocerca volvulus		0.0366	0.0817	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0134	0.0239	0.0239
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.2488	0.6096	0.6096
Onchocerca volvulus		0.0067	0.0074	0.0911
Onchocerca volvulus		0.0181	0.0357	0.4374
Toxoplasma gondii	subtilisin SUB12	0.0181	0.0357	1
Echinococcus granulosus	Furin 1	0.1001	0.2397	0.2397
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0134	0.0239	0.0239
Brugia malayi	GCC2 and GCC3 family protein	0.0051	0.0035	0.0035
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0337	0.0746	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0337	0.0746	0.0746
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0069	0.0077	0.5
Schistosoma mansoni	furin-1 (S08 family)	0.1751	0.4262	0.4262
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0181	0.0357	0.0357
Echinococcus multilocularis	epidermal growth factor receptor	0.0396	0.0892	0.112
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0157	0.0157
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0069	0.0077	0.2159
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0069	0.0077	0.2159
Toxoplasma gondii	subtilisin SUB10	0.0181	0.0357	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0134	0.0239	0.03
Schistosoma mansoni	hypothetical protein	0.0209	0.0426	0.0426
Schistosoma mansoni	septate junction protein	0.0045	0.0018	0.0018
Brugia malayi	Subtilase family protein	0.0181	0.0357	0.0357
Plasmodium vivax	subtilisin-like protease 1	0.0181	0.0357	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0022	0.0022
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0181	0.0357	0.0357
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.157	0.3811	0.3811
Toxoplasma gondii	subtilisin SUB7	0.0181	0.0357	1
Echinococcus granulosus	membrane bound transcription factor site 1	0.0181	0.0357	0.0357
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Trichomonas vaginalis	hypothetical protein	0.082	0.1946	0.2769
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0181	0.0357	0.0357
Toxoplasma gondii	histone lysine-specific demethylase	0.0069	0.0077	0.2159
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0357	0.0357
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Trichomonas vaginalis	WD repeat domain, putative	0.0209	0.0426	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0074	0.0074
Plasmodium falciparum	protoporphyrinogen oxidase	0.0069	0.0077	0.2159
Toxoplasma gondii	subtilisin SUB8	0.0181	0.0357	1
Loa Loa (eye worm)	TK/ALK protein kinase	0.0067	0.0074	0.0074
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0199	0.0403	1
Giardia lamblia	High cysteine membrane protein Group 2	0.1487	0.3606	1
Echinococcus multilocularis	neuroendocrine convertase 2	0.2571	0.6301	0.7915
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0337	0.0746	0.0746
Plasmodium falciparum	subtilisin-like protease 3	0.0181	0.0357	1
Leishmania major	subtilisin-like serine peptidase	0.0181	0.0357	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0074	0.0074
Brugia malayi	SWIRM domain containing protein	0.0366	0.0817	0.0817
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0069	0.0077	0.1458
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Brugia malayi	Angiotensin-converting enzyme family protein	0.0658	0.1542	0.1542
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0181	0.0357	1
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0181	0.0357	0.0357
Brugia malayi	hypothetical protein	0.0069	0.0077	0.0077
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0148	0.0148
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0199	0.0403	1
Entamoeba histolytica	hypothetical protein	0.0046	0.0022	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0069	0.0077	0.1458
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0181	0.0357	1
Onchocerca volvulus		0.0067	0.0074	0.0911
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Toxoplasma gondii	subtilisin SUB9	0.0181	0.0357	1
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.082	0.1946	0.2769
Brugia malayi	neuroendocrine convertase 1 precursor	0.2571	0.6301	0.6301
Brugia malayi	amine oxidase, flavin-containing family protein	0.0097	0.0148	0.0148
Echinococcus multilocularis		0.0069	0.0077	0.0097
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0077	0.2159
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0069	0.0077	0.2159
Mycobacterium leprae	Possible secreted protease	0.0181	0.0357	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0035	0.0035
Loa Loa (eye worm)	endoprotease bli-4	0.4058	1	1
Schistosoma mansoni	tyrosine kinase	0.0396	0.0892	0.0892
Echinococcus granulosus	furin	0.4058	1	1
Echinococcus multilocularis		0.3238	0.7961	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0396	0.0892	0.0892
Loa Loa (eye worm)	proprotein convertase 2	0.1001	0.2397	0.2397
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0077	0.0077
Plasmodium vivax	subtilisin-like protease 2, putative	0.0181	0.0357	1
Toxoplasma gondii	subtilisin SUB4	0.0181	0.0357	1
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.082	0.1946	0.2769
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0074	0.0074
Schistosoma mansoni	growth factor receptor-bound protein	0.0134	0.0239	0.0239
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0077	0.2159
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0337	0.0746	0.0937
Echinococcus multilocularis	MAM	0.0067	0.0074	0.0094
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0181	0.0357	0.0357
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.1001	0.2397	0.2397
Echinococcus granulosus	protein will die slowly	0.0209	0.0426	0.0426
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0069	0.0077	0.0097
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0069	0.0077	0.0077
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0181	0.0357	0.0449
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1001	0.2397	0.3554
Toxoplasma gondii	subtilisin SUB11	0.0181	0.0357	1
Toxoplasma gondii	subtilisin SUB6	0.0181	0.0357	1
Echinococcus multilocularis	Furin 1	0.1001	0.2397	0.3011
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0199	0.0403	1
Plasmodium falciparum	subtilisin-like protease 1	0.0181	0.0357	1
Brugia malayi	proprotein convertase 2	0.2571	0.6301	0.6301
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0074	0.0074
Trichomonas vaginalis	conserved hypothetical protein	0.082	0.1946	0.2769
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.082	0.1946	0.2769
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0069	0.0077	0.2159

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.0025 uM/ml	Cytotoxicity against human A549 cells after 96 hrs by MTT assay	ChEMBL.	15497936
IC50 (functional)	= 0.0027 uM/ml	Cytotoxicity against human MCF7 cells after 96 hrs by MTT assay	ChEMBL.	15497936
IC50 (functional)	= 0.0048 uM/ml	Cytotoxicity against human Bel7402 cells after 96 hrs by MTT assay	ChEMBL.	15497936
IC50 (functional)	= 0.0088 uM/ml	Cytotoxicity against human BGC823 cells after 96 hrs by MTT assay	ChEMBL.	15497936
IC50 (functional)	> 0.0168 uM/ml	Cytotoxicity against human HCT8 cells after 96 hrs by MTT assay	ChEMBL.	15497936

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15497936

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: CHEMBL482585

Bibliographic References

No literature references available for this target.

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Detailed information for compound 984873