TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.027 | Formula: C7H2Br2O3S2
H donors: 2 H acceptors: 3 LogP: 4.48 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1sc2c(c1O)sc(c2Br)Br
InChi: 1S/C7H2Br2O3S2/c8-1-3-4(14-6(1)9)2(10)5(13-3)7(11)12/h10H,(H,11,12)
InChiKey: CCFHQQFXVCRZQD-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	G protein-coupled receptor 35	Starlite/ChEMBL	References

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
Echinococcus granulosus	solute carrier family 5	0.0087	0.0819	0.0819
Mycobacterium ulcerans	hypothetical protein	0.0076	0.067	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0393	0.0339
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.067	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0488	0.0435
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0087	0.0819	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0142	0.0142
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.1652	0.1652
Chlamydia trachomatis	hypothetical protein	0.0064	0.0519	0.5
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0312	0.3744	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0062	0.0488	0.5665
Echinococcus multilocularis	solute carrier family 5	0.0087	0.0819	0.0819
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0657	0.0657
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.067	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0105	0.1055	0.1055
Brugia malayi	Sodium:solute symporter family protein	0.0087	0.0819	0.0767
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0142	0.0087
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0112	0.114	0.1091
Echinococcus granulosus	peregrin	0.0032	0.0104	0.0104
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0347	0.421	0.421
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0056	0.0056
Onchocerca volvulus		0.0076	0.067	0.6142
Schistosoma mansoni	hypothetical protein	0.0661	0.8301	0.8301
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0105	0.1055	0.2388
Plasmodium falciparum	histone acetyltransferase GCN5	0.0041	0.0212	0.3373
Treponema pallidum	hypothetical protein	0.0064	0.0519	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.067	0.1175
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0347	0.421	0.421
Mycobacterium tuberculosis	Conserved protein	0.0076	0.067	0.0275
Echinococcus granulosus	GPCR family 2	0.0035	0.0142	0.0142
Mycobacterium ulcerans	lipase LipD	0.0076	0.067	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0135	0.0135
Entamoeba histolytica	hypothetical protein	0.005	0.0335	0.0349
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0312	0.3744	0.3744
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0064	0.0519	0.6072
Giardia lamblia	Kinase, PLK	0.0105	0.1055	0.2711
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.005	0.0335	0.0215
Schistosoma mansoni	sodium/solute symporter	0.0087	0.0819	0.0819
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.091	0.091
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.067	0.1175
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.067	0.0981
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0087	0.0819	0.0819
Toxoplasma gondii	hypothetical protein	0.0064	0.0519	0.6072
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0142	0.0142
Mycobacterium ulcerans	beta-lactamase	0.0076	0.067	1
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.067	0.0275
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0393	0.017
Trichomonas vaginalis	importin beta-1, putative	0.005	0.0335	0.0215
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.2816	0.2776
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0087	0.0819	0.0819
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.026	0.2681
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0142	0.0087
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0203	0.0203
Plasmodium vivax	importin-beta 2, putative	0.0062	0.0488	0.7039
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.067	1
Plasmodium vivax	protease, putative	0.0064	0.0519	0.7543
Echinococcus multilocularis	peregrin	0.0032	0.0104	0.0104
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0135	0.0079
Giardia lamblia	Histone acetyltransferase GCN5	0.0041	0.0212	0.0424
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.026	0.026
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0087	0.0819	0.0819
Brugia malayi	jmjC domain containing protein	0.0035	0.0135	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0678	0.0626
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.067	0.067
Echinococcus multilocularis	geminin	0.0357	0.4337	0.4337
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0105	0.1055	0.1055
Echinococcus granulosus	CAAX prenyl protease 2	0.0312	0.3744	0.3744
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.067	0.0617
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0347	0.421	0.421
Loa Loa (eye worm)	hypothetical protein	0.0312	0.3744	0.3709
Toxoplasma gondii	ABC1 family protein	0.0076	0.067	0.8049
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0142	0.0142
Echinococcus granulosus	geminin	0.0357	0.4337	0.4337
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.067	0.0617
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.026	0.3331
Schistosoma mansoni	kinase	0.0054	0.0379	0.0379
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.067	0.0275
Loa Loa (eye worm)	acetyltransferase	0.0151	0.1652	0.1606
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.067	0.1175
Schistosoma mansoni	inositol transporter	0.0087	0.0819	0.0819
Trypanosoma brucei	importin beta-1 subunit, putative	0.0062	0.0488	0.0283
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.067	0.5
Entamoeba histolytica	CAAX amino terminal protease family	0.0064	0.0519	0.0869
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.067	0.1175
Brugia malayi	MH2 domain containing protein	0.024	0.2816	0.2776
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0087	0.0819	0.0819
Brugia malayi	hypothetical protein	0.0055	0.0393	0.0339
Entamoeba histolytica	CAAX prenyl protease family	0.0312	0.3744	1
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0087	0.0819	0.0819
Toxoplasma gondii	hypothetical protein	0.0064	0.0519	0.6072
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.067	0.1175
Schistosoma mansoni	hypothetical protein	0.0035	0.0142	0.0142
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0142	0.0142
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.067	0.0275
Schistosoma mansoni	hypothetical protein	0.0357	0.4337	0.4337
Trichomonas vaginalis	esterase, putative	0.0076	0.067	0.1175
Plasmodium falciparum	importin beta, putative	0.0062	0.0488	0.9331
Brugia malayi	beta-lactamase	0.0076	0.067	0.0617
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.067	0.0826
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0135	0.0135
Schistosoma mansoni	hypothetical protein	0.0357	0.4337	0.4337
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0312	0.3744	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0393	0.7283
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0347	0.421	0.421
Mycobacterium tuberculosis	Conserved protein	0.0076	0.067	0.0275
Echinococcus granulosus	importin subunit beta 1	0.0062	0.0488	0.0488
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0347	0.421	0.421
Onchocerca volvulus		0.0087	0.0819	0.7631
Schistosoma mansoni	serine/threonine protein kinase	0.0105	0.1055	0.1055
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.067	0.0275
Brugia malayi	hypothetical protein	0.0035	0.014	0.0085
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.005	0.0335	0.0215
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.067	0.067
Mycobacterium leprae	Probable lipase LipE	0.0076	0.067	0.5
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0203	0.0203
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.0393	0.4422
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0393	0.017
Schistosoma mansoni	hypothetical protein	0.0035	0.0142	0.0142
Giardia lamblia	Hypothetical protein	0.0312	0.3744	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0142	0.0087
Schistosoma mansoni	hypothetical protein	0.0035	0.0142	0.0142
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.067	0.0275
Leishmania major	hypothetical protein, conserved	0.0076	0.067	0.0981
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0485	0.6001	1
Loa Loa (eye worm)	beta-lactamase	0.0076	0.067	0.0617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0347	0.421	0.421
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0393	0.7283
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0661	0.8301	0.8292
Schistosoma mansoni	high-affinity choline transporter	0.0791	1	1
Leishmania major	hypothetical protein, conserved	0.0055	0.0393	0.017
Schistosoma mansoni	hypothetical protein	0.0029	0.0056	0.0056
Echinococcus granulosus	high affinity choline transporter 1	0.0791	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0105	0.1055	0.2113
Brugia malayi	Bromodomain containing protein	0.0032	0.0104	0.0049
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.067	0.0981
Echinococcus multilocularis	importin subunit beta 1	0.0062	0.0488	0.0488
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.0393	0.5494
Trichomonas vaginalis	CAMK family protein kinase	0.0052	0.0361	0.0289
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0312	0.3744	1
Schistosoma mansoni	inositol transporter	0.0087	0.0819	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0791	1	1
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0312	0.3744	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.0678	0.0626
Brugia malayi	CAAX amino terminal protease family protein	0.0312	0.3744	0.3709
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0147	0.1597	0.1597
Echinococcus multilocularis	snurportin 1	0.0661	0.8301	0.8301
Loa Loa (eye worm)	hypothetical protein	0.0112	0.114	0.1091
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.2816	0.2776
Schistosoma mansoni	hypothetical protein	0.0077	0.0678	0.0678
Schistosoma mansoni	hypothetical protein	0.0035	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0105	0.1055	0.1005
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.1652	0.1606
Loa Loa (eye worm)	hypothetical protein	0.0076	0.067	0.0617
Echinococcus granulosus	sodium:glucose cotransporter	0.0087	0.0819	0.0819
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0135	0.0135
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0135	0.0135
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.067	1
Echinococcus multilocularis	CAAX prenyl protease 2	0.0312	0.3744	0.3744
Onchocerca volvulus		0.0076	0.067	0.6142
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0324	0.027
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0819	0.0767
Onchocerca volvulus		0.0076	0.067	0.6142
Brugia malayi	beta-lactamase family protein	0.0076	0.067	0.0617
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0312	0.3744	0.3744
Brugia malayi	jmjC domain containing protein	0.0094	0.091	0.0859
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0087	0.0819	0.0819
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.067	0.067
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0455	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0142	0.0087
Mycobacterium tuberculosis	Conserved protein	0.0076	0.067	0.0275
Brugia malayi	beta-lactamase family protein	0.0076	0.067	0.0617
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0105	0.1055	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0105	0.1055	0.2113
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0105	0.1055	0.2113
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0056	0.0056
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.067	0.0275
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.067	0.067
Echinococcus granulosus	snurportin 1	0.0661	0.8301	0.8301
Schistosoma mansoni	importin beta-1	0.0062	0.0488	0.0488
Plasmodium falciparum	protease, putative	0.0064	0.0519	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.026	0.2681
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.1055	0.2283
Trypanosoma brucei	importin beta-1 subunit, putative	0.0062	0.0488	0.0283
Echinococcus multilocularis	high affinity choline transporter 1	0.0791	1	1
Brugia malayi	RNA, U transporter 1	0.0176	0.1977	0.1932
Brugia malayi	serine/threonine-protein kinase plk-2	0.0105	0.1055	0.1005
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0347	0.421	0.4177
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.1652	0.1652
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0347	0.421	0.421
Entamoeba histolytica	CAAX amino terminal protease family	0.0064	0.0519	0.0869
Trypanosoma brucei	polo-like protein kinase	0.0105	0.1055	0.1977
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.091	0.091
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0312	0.3744	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0112	0.114	0.1091
Trichomonas vaginalis	CAMK family protein kinase	0.0052	0.0361	0.0289
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0112	0.114	0.1091
Brugia malayi	Importin beta-1 subunit	0.0062	0.0488	0.0435
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0347	0.421	0.4177

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.016 uM	Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay	ChEMBL.	22572579
EC50 (functional)	= 2.46 uM	Agonist activity at GPR35 in human U20S cells expressing beta-lactamase and Gal4-VP16 transcription factor assessed as beta arrestin translocation after 5 hrs by Tango assay	ChEMBL.	22572579
Efficacy (functional)	= 96 %	Agonist activity at GPR35 in human U2OS cells expressing beta-lactamase and Gal4-VP16 transcription factor assessed as beta arrestin translocation after 5 hrs by Tango assay relative to zaprinast	ChEMBL.	22572579
Efficacy (functional)	= 228 %	Agonist activity at GPR35 in human HT-29 cells by dynamic mass redistribution assay relative to zaprinast	ChEMBL.	22572579

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: CHEMBL2037456

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 1665530