TDR Targets

Basic information

Technical information

TDR Targets ID: 724539
Name: 3-chloro-4-methoxy-N-(oxolan-2-ylmethyl)benze nesulfonamide
MW: 305.778 | Formula: C12H16ClNO4S
H donors: 1 H acceptors: 2 LogP: 1.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1Cl)S(=O)(=O)NCC1CCCO1
InChi: 1S/C12H16ClNO4S/c1-17-12-5-4-10(7-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h4-5,7,9,14H,2-3,6,8H2,1H3
InChiKey: HHONNDDKGPGYIM-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-chloro-4-methoxy-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
3-chloro-4-methoxy-N-(2-tetrahydrofuranylmethyl)benzenesulfonamide
3-chloro-4-methoxy-N-(tetrahydrofurfuryl)benzenesulfonamide
BAS 09097228
MLS001206175
SMR000524418
3-Chloro-4-methoxy-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2562	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0115	0.3996	1
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.1341	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2562	0.5685
Mycobacterium ulcerans	beta-lactamase	0.0043	0.1341	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Entamoeba histolytica	hypothetical protein	0.0007	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.1341	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1341	1
Brugia malayi	CXXC zinc finger family protein	0.0061	0.1984	0.7301
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1474	0.5205
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1341	0.2977
Onchocerca volvulus		0.0061	0.1984	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Brugia malayi	TAR-binding protein	0.0076	0.2562	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1474	0.5205
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2562	1
Schistosoma mansoni	cpg binding protein	0.0064	0.2112	0.4688
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1474	0.3271
Mycobacterium ulcerans	hypothetical protein	0.0043	0.1341	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.1341	0.4298
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2562	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.1341	0.462
Brugia malayi	beta-lactamase family protein	0.0043	0.1341	0.4298
Leishmania major	hypothetical protein, conserved	0.0043	0.1341	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Trichomonas vaginalis	helicase, putative	0.0014	0.0244	0.1771
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.1341	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1474	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2562	0.5685
Schistosoma mansoni	cpg binding protein	0.0064	0.2112	0.4688
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2562	0.5685
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1474	0.5205
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1474	0.4897
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1341	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.1341	0.4298
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.1341	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0019	0.0431	0.0605
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0293	0.0651
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2562	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2562	0.5685
Schistosoma mansoni	cpg binding protein	0.0061	0.1984	0.4403
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.1341	0.462
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2562	1
Echinococcus multilocularis	cpg binding protein	0.0064	0.2112	0.8019
Brugia malayi	RNA binding protein	0.0076	0.2562	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2562	0.5685
Mycobacterium ulcerans	lipase LipD	0.0043	0.1341	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Plasmodium falciparum	zinc finger protein, putative	0.0007	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0244	0.1771
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0244	0.1771
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.1341	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0244	0.1771
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0019	0.0431	0.0605
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0057	0.0127
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.1341	0.4274
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1474	0.5205
Brugia malayi	beta-lactamase	0.0043	0.1341	0.4298
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1341	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1341	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2562	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1474	0.3271
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1341	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1341	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1474	0.3271
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1341	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0061	0.1984	0.729
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0129	0.4506	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Echinococcus granulosus	cpg binding protein	0.0064	0.2112	0.8019
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1341	0.2977
Mycobacterium leprae	Probable lipase LipE	0.0043	0.1341	0.5
Trichomonas vaginalis	esterase, putative	0.0043	0.1341	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1341	0.4274
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0244	0.1771
Loa Loa (eye worm)	beta-lactamase	0.0043	0.1341	0.4274

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1519682
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 724539