TDR Targets

Basic information

Technical information

TDR Targets ID: 1313089
Name: 8-piperidin-1-ylsulfonylquinoline
MW: 276.354 | Formula: C14H16N2O2S
H donors: 0 H acceptors: 3 LogP: 2.18 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=S(=O)(c1cccc2c1nccc2)N1CCCCC1
InChi: 1S/C14H16N2O2S/c17-19(18,16-10-2-1-3-11-16)13-8-4-6-12-7-5-9-15-14(12)13/h4-9H,1-3,10-11H2
InChiKey: FXIUZXICADLQLW-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

8-(1-piperidylsulfonyl)quinoline
8-piperidinosulfonylquinoline
Oprea1_529297
ZINC00248701
IFLab1_001272
IDI1_009139

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus granulosus	tar DNA binding 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
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing 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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
Loa Loa (eye worm)	TAR-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 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 mansoni	tar DNA-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
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.005	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.005	0.5
Onchocerca volvulus		0.0107	0.0653	0.518
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0435	0.0328
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0061	1
Entamoeba histolytica	hypothetical protein	0.0107	0.0653	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0107	0.0653	0.0523
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0107	0.0653	0.0523
Brugia malayi	TAR-binding protein	0.0076	0.0435	0.0479
Echinococcus granulosus	glutamate receptor 2	0.0107	0.0653	0.0523
Leishmania major	extracellular receptor, putative	0.0107	0.0653	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0007	0.139
Brugia malayi	Receptor family ligand binding region containing protein	0.0107	0.0653	0.0749
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0435	0.0429
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.005	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0435	0.0429
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.029	0.1987	0.1982
Trypanosoma cruzi	extracellular receptor, putative	0.0107	0.0653	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0435	0.0328
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0435	0.0328
Loa Loa (eye worm)	glutamate receptor	0.1133	0.81	0.8099
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0107	0.0653	0.0523
Brugia malayi	Receptor family ligand binding region containing protein	0.029	0.1987	0.2407
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0107	0.0653	0.0647
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0107	0.0653	0.0647
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0435	0.0479
Echinococcus multilocularis	glutamate receptor 2	0.0107	0.0653	0.0523
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.005	1
Echinococcus multilocularis	tyrosine kinase	0.0107	0.0653	0.0523
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Schistosoma mansoni	tyrosine kinase	0.0107	0.0653	0.0567
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.029	0.1987	0.1982
Entamoeba histolytica	hypothetical protein	0.0035	0.0138	0.1455
Onchocerca volvulus	Poor gastrulation protein homolog	0.0184	0.1214	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0435	0.0302
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0107	0.0653	0.0523
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.1026	0.7328	0.904
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0107	0.0653	0.0523
Mycobacterium ulcerans	hypothetical protein	0.0023	0.005	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.1133	0.81	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.005	0.0043
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0435	0.0429
Entamoeba histolytica	hypothetical protein	0.0035	0.0138	0.1455
Schistosoma mansoni	hypothetical protein	0.0184	0.1214	0.1185
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.005	1
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0107	0.0653	0.0523
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.1395	1	1
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0949	0.6766	0.6721
Brugia malayi	hypothetical protein	0.0025	0.0061	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Schistosoma mansoni	tyrosine kinase	0.0107	0.0653	0.0567
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0184	0.1214	0.1092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0061	1
Brugia malayi	RNA binding protein	0.0076	0.0435	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0023	0.005	0.0043
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0107	0.0653	0.0523
Schistosoma mansoni	protein kinase	0.0107	0.0653	0.0567
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0107	0.0653	0.0523
Loa Loa (eye worm)	hypothetical protein	0.029	0.1987	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0061	0.0054
Echinococcus granulosus	glutamate receptor 2	0.0107	0.0653	0.0523
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0107	0.0653	0.0749
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0007	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0107	0.0653	0.0647
Echinococcus granulosus	nmda type glutamate receptor	0.0107	0.0653	0.0523
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0435	0.0328
Entamoeba histolytica	hypothetical protein	0.0035	0.0138	0.1455
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0435	0.0328
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0107	0.0653	0.0523
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0184	0.1214	1
Brugia malayi	hypothetical protein	0.0107	0.0653	0.0749
Echinococcus granulosus	GPCR family 3 C terminal	0.0184	0.1214	0.1092
Brugia malayi	hypothetical protein	0.0035	0.0138	0.0109
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0107	0.0653	0.0647
Echinococcus multilocularis	glutamate receptor 2	0.0107	0.0653	0.0523
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.005	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.005	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0552	0.3887	0.4125
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0949	0.6766	0.6721
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1214	0.1208
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0061	1
Schistosoma mansoni	glutamate receptor NMDA	0.0107	0.0653	0.0567
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.005	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0435	0.0302
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.1288	0.9227	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0061	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0653	0.0647
Leishmania major	hypothetical protein, conserved	0.0025	0.0061	0.0178
Echinococcus granulosus	tyrosine kinase	0.0107	0.0653	0.0523
Brugia malayi	metabotropic glutamate receptor type 2	0.0552	0.3887	0.4766
Entamoeba histolytica	hypothetical protein	0.0035	0.0138	0.1455
Echinococcus multilocularis	nmda type glutamate receptor	0.0107	0.0653	0.0523
Brugia malayi	Guanylyl cyclase protein 23	0.0107	0.0653	0.0749
Echinococcus granulosus	receptor type guanylyl cyclase	0.0107	0.0653	0.0523
Loa Loa (eye worm)	hypothetical protein	0.1395	1	1
Onchocerca volvulus		0.0107	0.0653	0.518
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.005	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0107	0.0653	0.0523
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0107	0.0653	0.518
Loa Loa (eye worm)	glutamate receptor	0.0446	0.3114	0.3109
Loa Loa (eye worm)	hypothetical protein	0.0023	0.005	0.0043
Schistosoma mansoni	metabotropic glutamate receptor	0.0949	0.6766	0.7293
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0184	0.1214	0.1447
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.005	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0107	0.0653	0.0523

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1457889

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 1313089