TDR Targets

Basic information

Technical information

TDR Targets ID: 1379906
Name: 1-[5-[(2,6-dichlorophenyl)sulfonylmethyl]fura n-2-carbonyl]piperidine-4-carboxamide
MW: 445.317 | Formula: C18H18Cl2N2O5S
H donors: 1 H acceptors: 4 LogP: 2.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(o1)CS(=O)(=O)c1c(Cl)cccc1Cl)N1CCC(CC1)C(=O)N
InChi: 1S/C18H18Cl2N2O5S/c19-13-2-1-3-14(20)16(13)28(25,26)10-12-4-5-15(27-12)18(24)22-8-6-11(7-9-22)17(21)23/h1-5,11H,6-10H2,(H2,21,23)
InChiKey: SLVOBDYJIHVATI-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[[5-[(2,6-dichlorophenyl)sulfonylmethyl]-2-furyl]-oxomethyl]-4-piperidinecarboxamide
1-[5-[(2,6-dichlorophenyl)sulfonylmethyl]furan-2-carbonyl]isonipecotamide
1-[5-[(2,6-dichlorophenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-4-carboxamide
MLS000120235
SMR000097152
ChemDiv2_008308

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0099	0.2382	1
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0058	0.0664	0.0989
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0539	0.0803
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0099	0.2382	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0068	0.1075	0.16
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0196	0.6514	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0058	0.0664	0.0989
Toxoplasma gondii	thioredoxin reductase	0.0196	0.6514	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0196	0.6514	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0539	0.0803
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0099	0.2382	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0058	0.0664	0.0989
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.1601
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0068	0.1075	0.16
Mycobacterium tuberculosis	Probable oxidoreductase	0.0068	0.1075	0.104
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0039	0.0058
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0068	0.1075	0.16
Plasmodium falciparum	glutathione reductase	0.0196	0.6514	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.1601
Trypanosoma cruzi	trypanothione reductase, putative	0.0068	0.1075	0.16
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.1601
Schistosoma mansoni	glutamate receptor NMDA	0.0058	0.0664	0.0989
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0099	0.2382	0.2352
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0196	0.6514	0.9704
Echinococcus granulosus	geminin	0.02	0.6713	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.005	0.0309	0.0475
Onchocerca volvulus		0.0043	0.0039	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0539	0.0772
Brugia malayi	beta-lactamase	0.0043	0.0039	0.006
Trichomonas vaginalis	glutathione reductase, putative	0.0068	0.1075	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0068	0.1075	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0539	0.0827
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0539	0.0803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Brugia malayi	beta-lactamase family protein	0.0043	0.0039	0.006
Trichomonas vaginalis	mercuric reductase, putative	0.0068	0.1075	1
Plasmodium falciparum	thioredoxin reductase	0.0196	0.6514	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0068	0.1075	0.104
Schistosoma mansoni	hypothetical protein	0.02	0.6713	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0068	0.1075	0.16
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0099	0.2382	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0068	0.1075	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0058	0.0664	0.0989
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0039	0.0058
Echinococcus granulosus	glutamate receptor 2	0.0058	0.0664	0.0989
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0068	0.1075	0.16
Loa Loa (eye worm)	MH2 domain-containing protein	0.0141	0.4195	0.6418
Echinococcus multilocularis	geminin	0.02	0.6713	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0068	0.1075	0.165
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0039	0.0058
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Brugia malayi	Thioredoxin reductase	0.0196	0.6514	1
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0058	0.0664	0.0989
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0068	0.1075	0.104
Echinococcus multilocularis	glutamate receptor 2	0.0058	0.0664	0.0989
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0068	0.1075	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.0039	0.006
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0058	0.0664	0.0989
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.0698	0.1071
Plasmodium vivax	glutathione reductase, putative	0.0196	0.6514	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0698	0.1017
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.4421
Chlamydia trachomatis	glutamine binding protein	0.0099	0.2382	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0196	0.6514	0.65
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0068	0.1075	0.16
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0068	0.1075	0.16
Onchocerca volvulus		0.0043	0.0039	0.5
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.16
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0068	0.1075	0.16
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0068	0.1075	0.16
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0137	0.4017	0.5985
Schistosoma mansoni	hypothetical protein	0.02	0.6713	1
Echinococcus granulosus	nmda type glutamate receptor	0.0137	0.4017	0.5985
Brugia malayi	glutathione reductase	0.0196	0.6514	1
Leishmania major	trypanothione reductase	0.0196	0.6514	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0068	0.1075	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.0698	0.1071
Onchocerca volvulus		0.0043	0.0039	0.5
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0068	0.1075	0.16
Trypanosoma brucei	trypanothione reductase	0.0196	0.6514	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0539	0.0803
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0068	0.1075	0.4421
Echinococcus granulosus	thioredoxin glutathione reductase	0.0196	0.6514	0.9704
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0039	0.0058
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0058	0.0664	0.0989
Loa Loa (eye worm)	transcription factor SMAD2	0.0141	0.4195	0.6418
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0068	0.1075	0.104
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0039	0.006
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0058	0.0664	0.0989
Echinococcus multilocularis	nmda type glutamate receptor	0.0137	0.4017	0.5985
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0539	0.0803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0539	0.0803
Brugia malayi	MH2 domain containing protein	0.0141	0.4195	0.644
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.005	0.0309	0.0475
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0068	0.1075	0.16
Plasmodium vivax	thioredoxin reductase, putative	0.0196	0.6514	1
Loa Loa (eye worm)	glutathione reductase	0.0196	0.6514	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0068	0.1075	0.4421
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.0698	0.1017
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0539	0.0803
Toxoplasma gondii	NADPH-glutathione reductase	0.0068	0.1075	0.16

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No 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)	11.2202 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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

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: CHEMBL1509677

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 1379906