TDR Targets

Basic information

Technical information

TDR Targets ID: 1810913
Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfa nylbenzoic acid
MW: 326.755 | Formula: C13H11ClN2O4S
H donors: 1 H acceptors: 4 LogP: 3.37 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)nc(n1)Sc1cccc(c1C(=O)O)Cl
InChi: 1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
InChiKey: QEGVVEOAVNHRAA-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-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid
2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid
NCGC00163877-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Arabidopsis thaliana	acetolactate synthase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	acetolactate synthase	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_126899	All targets in OG5_126899
Candida albicans	Acetolactate synthase	Get druggable targets OG5_126899	All targets in OG5_126899
Brugia malayi	Thiamine pyrophosphate enzyme, central domain containing protein	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	Get druggable targets OG5_126899	All targets in OG5_126899
Candida albicans	Acetolactate synthase	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	Get druggable targets OG5_126899	All targets in OG5_126899
Loa Loa (eye worm)	ILVBL protein	Get druggable targets OG5_126899	All targets in OG5_126899
Schistosoma japonicum	ko:K01651 acetolactate synthase [EC2.2.1.6], putative	Get druggable targets OG5_126899	All targets in OG5_126899
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	Get druggable targets OG5_126899	All targets in OG5_126899
Schistosoma mansoni	acetolactate synthase	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	Get druggable targets OG5_126899	All targets in OG5_126899
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	Get druggable targets OG5_126899	All targets in OG5_126899
Schistosoma japonicum	ko:K01651 acetolactate synthase [EC2.2.1.6], putative	Get druggable targets OG5_126899	All targets in OG5_126899

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 multilocularis	serotonin receptor	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0067	0.1384	0.5
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0133	1	1
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0133	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0067	0.1384	0.5
Schistosoma mansoni	acetolactate synthase	0.0114	0.7458	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0067	0.1384	0.5
Plasmodium vivax	acyl-CoA synthetase, putative	0.0076	0.2525	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.0067	0.1384	0.5
Echinococcus granulosus	g protein coupled receptor	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0067	0.1384	0.5
Echinococcus granulosus	hypothetical protein	0.0067	0.1384	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0067	0.1384	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0067	0.1384	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0067	0.1384	0.5
Echinococcus granulosus	serotonin receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	sex peptide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	7TM GPCR rhodopsin	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	sex peptide receptor	0.0067	0.1384	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0133	1	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0067	0.1384	0.5
Echinococcus multilocularis	serotonin receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0076	0.2525	0.5
Echinococcus granulosus	orexin receptor type 2	0.0067	0.1384	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.0067	0.1384	0.5
Echinococcus granulosus	g-protein coupled receptor	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Loa Loa (eye worm)	ILVBL protein	0.008	0.3106	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0133	1	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0067	0.1384	0.5
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0133	1	0.5
Echinococcus multilocularis	somatostatin receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0067	0.1384	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0067	0.1384	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0067	0.1384	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0067	0.1384	0.5
Echinococcus granulosus	g protein coupled receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Schistosoma mansoni	acetolactate synthase	0.0114	0.7458	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0067	0.1384	0.5
Echinococcus granulosus	g protein coupled receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0067	0.1384	0.5
Echinococcus granulosus	allatostatin A receptor	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0067	0.1384	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0067	0.1384	0.5
Echinococcus granulosus	somatostatin receptor	0.0067	0.1384	0.5
Plasmodium falciparum	acyl-CoA synthetase	0.0076	0.2525	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.0076	0.2542	0.6723
Echinococcus granulosus	neuropeptide FF receptor 2	0.0067	0.1384	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	orexin receptor type 2	0.0067	0.1384	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0067	0.1384	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0067	0.1384	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0067	0.1384	0.5
Echinococcus granulosus	fmrfamide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0067	0.1384	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0067	0.1384	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0133	1	1
Onchocerca volvulus		0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0067	0.1384	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0067	0.1384	0.5
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0067	0.1384	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0067	0.1384	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0067	0.1384	0.5
Mycobacterium ulcerans	hypothetical protein	0.0133	1	1
Echinococcus granulosus	neuropeptide Y receptor	0.0067	0.1384	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0067	0.1384	0.5
Onchocerca volvulus		0.0067	0.1384	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.49	Inhibition of acetolactate synthase in 6-7 days old etiolated Pisum sativum (pea) shoot	ChEMBL.	No reference

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: CHEMBL2251593

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 1810913