TDR Targets

Basic information

Technical information

TDR Targets ID: 1519679
Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2 -(2-oxopyridin-1-yl)acetamide
MW: 409.887 | Formula: C18H20ClN3O4S
H donors: 1 H acceptors: 4 LogP: 1.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cn1ccccc1=O)Nc1ccc(c(c1)S(=O)(=O)N1CCCCC1)Cl
InChi: 1S/C18H20ClN3O4S/c19-15-8-7-14(20-17(23)13-21-9-5-2-6-18(21)24)12-16(15)27(25,26)22-10-3-1-4-11-22/h2,5-9,12H,1,3-4,10-11,13H2,(H,20,23)
InChiKey: BZDNSVGZQDWVBI-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

N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2-(2-oxo-1-pyridyl)acetamide
N-(4-chloro-3-piperidinosulfonyl-phenyl)-2-(2-keto-1-pyridyl)acetamide
N-(4-chloro-3-piperidin-1-ylsulfonyl-phenyl)-2-(2-oxopyridin-1-yl)ethanamide
T5496622
ZINC07781474

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

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
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0089	0.0561	0.0964
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0141	0.1214	0.2088
Loa Loa (eye worm)	hypothetical protein	0.0181	0.1711	0.1535
Echinococcus multilocularis	peregrin	0.0064	0.026	0.0447
Brugia malayi	Bromodomain containing protein	0.0241	0.2453	0.2453
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Leishmania major	hypothetical protein, conserved	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Plasmodium falciparum	histone acetyltransferase GCN5	0.0077	0.0414	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.129	0.1105
Echinococcus multilocularis	global transcription activator snf2l2	0.0193	0.1856	0.3192
Loa Loa (eye worm)	acetyltransferase	0.0342	0.3712	0.3578
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0141	0.1214	0.2088
Brugia malayi	ATPase, AAA family protein	0.0064	0.026	0.026
Echinococcus multilocularis	Bromodomain containing protein	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Schistosoma mansoni	helicase	0.0193	0.1856	0.3192
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.026	0.2691	0.4628
Brugia malayi	bromodomain containing protein	0.0064	0.026	0.026
Trypanosoma brucei	Bromodomain, putative	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus granulosus	Bromodomain containing protein	0.0064	0.026	0.0447
Echinococcus multilocularis	polybromo 1	0.0064	0.026	0.0447
Schistosoma mansoni	hypothetical protein	0.0064	0.026	0.0447
Echinococcus multilocularis	protein kinase C binding protein 1	0.0064	0.026	0.0447
Echinococcus granulosus	polybromo 1	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus granulosus	CREB binding protein	0.0184	0.1743	0.2997
Brugia malayi	Bromodomain containing protein	0.0064	0.026	0.026
Echinococcus granulosus	bromodomain containing 2	0.0511	0.5815	1
Echinococcus granulosus	transcription initiation factor TFIID subunit 1	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Entamoeba histolytica	acetyltransferase, GNAT family	0.0077	0.0414	0.1645
Giardia lamblia	Histone acetyltransferase GCN5	0.0077	0.0414	0.0682
Schistosoma mansoni	polybromo-1	0.0064	0.026	0.0447
Echinococcus multilocularis	bromodomain containing protein 7	0.0308	0.3284	0.5647
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0208	0.0208
Entamoeba histolytica	ankyrin repeat protein, putative	0.0064	0.026	0.1033
Echinococcus multilocularis	Bromodomain containing protein	0.0246	0.2516	0.4326
Trypanosoma brucei	bromodomain factor 2 protein, putative	0.0064	0.026	1
Trichomonas vaginalis	conserved hypothetical protein	0.0246	0.2516	0.4061
Echinococcus granulosus	acetyl coenzyme A C acetyltransferase	0.0109	0.0818	0.1406
Loa Loa (eye worm)	bromodomain containing protein	0.0124	0.1007	0.0816
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus granulosus	ATPase family AAA domain containing protein 2B	0.0064	0.026	0.0447
Schistosoma mansoni	zinc finger protein	0.006	0.0207	0.0356
Echinococcus granulosus	PH interacting protein	0.0064	0.026	0.0447
Trypanosoma brucei	Bromodomain, putative	0.0064	0.026	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0141	0.1214	0.4228
Entamoeba histolytica	bromodomain-containing protein	0.0246	0.2516	1
Echinococcus granulosus	protein kinase C binding protein 1	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0141	0.1214	0.1717
Loa Loa (eye worm)	BRM protein	0.0129	0.1064	0.0874
Schistosoma mansoni	CREB-binding protein 2	0.026	0.2691	0.4628
Brugia malayi	Bromodomain containing protein	0.0511	0.5815	0.5815
Loa Loa (eye worm)	hypothetical protein	0.0169	0.156	0.138
Trichomonas vaginalis	bromodomain-containing protein 4, brd4, putative	0.0246	0.2516	0.4061
Brugia malayi	acetyltransferase, GNAT family protein	0.0342	0.3712	0.3712
Loa Loa (eye worm)	hypothetical protein	0.0756	0.8857	0.8833
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0181	0.1706	0.2934
Echinococcus granulosus	CREB binding protein	0.026	0.2691	0.4628
Schistosoma mansoni	hypothetical protein	0.0064	0.026	0.0447
Giardia lamblia	Kinase, putative	0.0246	0.2516	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0622	0.0422
Echinococcus multilocularis	PH interacting protein	0.0064	0.026	0.0447
Echinococcus multilocularis	ATPase family AAA domain containing protein 2B	0.0064	0.026	0.0447
Echinococcus multilocularis		0.0064	0.026	0.0447
Entamoeba histolytica	bromodomain-containing protein	0.0064	0.026	0.1033
Echinococcus multilocularis	zinc finger protein	0.0132	0.11	0.1892
Loa Loa (eye worm)	hypothetical protein	0.014	0.1197	0.1009
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0246	0.2516	0.4061
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0065	0.0272	0.0023
Leishmania major	hypothetical protein, conserved	0.0064	0.026	1
Trypanosoma cruzi	Bromodomain, putative	0.0064	0.026	1
Brugia malayi	Bromodomain containing protein	0.0064	0.026	0.026
Entamoeba histolytica	bromodomain-containing protein	0.0064	0.026	0.1033
Echinococcus granulosus	bromodomain containing protein 7	0.0308	0.3284	0.5647
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus multilocularis	bromodomain containing 2	0.0511	0.5815	1
Trichomonas vaginalis	bromodomain containing protein, putative	0.0246	0.2516	0.4061
Toxoplasma gondii	SWI2/SNF2 Brahma-like putative	0.0085	0.0515	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Schistosoma mansoni	bromodomain containing protein	0.0064	0.026	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0848	1	1
Brugia malayi	polybromodomain protein	0.0064	0.026	0.026
Loa Loa (eye worm)	CBP-B	0.0199	0.1935	0.1763
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0141	0.1214	0.4228
Schistosoma mansoni	hypothetical protein	0.0064	0.026	0.0447
Leishmania major	DNA-binding protein, putative,predicted bromodomain protein	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trypanosoma brucei	AAA ATPase, putative	0.0064	0.026	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0342	0.3712	0.6383
Entamoeba histolytica	bromodomain-containing protein	0.0246	0.2516	1
Brugia malayi	Bromodomain containing protein	0.0064	0.026	0.026
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus granulosus	bromodomain containing protein 8	0.0064	0.026	0.0447
Loa Loa (eye worm)	PHD-finger family protein	0.0223	0.2235	0.207
Trichomonas vaginalis	lymphoid specific helicase, putative	0.0085	0.0515	0.0459
Echinococcus granulosus	Bromodomain containing protein	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Echinococcus multilocularis	bromodomain containing protein 8	0.0064	0.026	0.0447
Schistosoma mansoni	bromodomain containing protein	0.0228	0.2297	0.3951
Schistosoma mansoni	bromodomain containing	0.0372	0.4084	0.7023
Trichomonas vaginalis	bromodomain-containing protein, putative	0.033	0.3559	0.5939
Trypanosoma brucei	Bromodomain, putative	0.0064	0.026	1
Schistosoma mansoni	hypothetical protein	0.0308	0.3284	0.5647
Brugia malayi	Bromodomain containing protein	0.0756	0.8857	0.8857
Trypanosoma cruzi	Bromodomain factor 1	0.0064	0.026	1
Trichomonas vaginalis	conserved hypothetical protein	0.0265	0.2759	0.4499
Leishmania major	hypothetical protein, conserved,predicted bromodomain protein	0.0064	0.026	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Brugia malayi	polybromodomain protein	0.0064	0.026	0.026
Loa Loa (eye worm)	BRM protein	0.0084	0.0507	0.0305
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Schistosoma mansoni	zinc finger protein	0.0132	0.11	0.1892
Loa Loa (eye worm)	bromodomain containing protein	0.0246	0.2516	0.2357
Trichomonas vaginalis	bromodomain-containing protein, putative	0.033	0.3559	0.5939
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0141	0.1214	0.1717
Trichomonas vaginalis	histone acetyltransferase gcn5, putative	0.0065	0.0272	0.0023
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0181	0.1706	0.2934
Schistosoma mansoni	hypothetical protein	0.0064	0.026	0.0447
Trichomonas vaginalis	conserved hypothetical protein	0.033	0.3559	0.5939
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0141	0.1214	0.2087
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0277	0.2899	0.4985
Echinococcus multilocularis	acetyl coenzyme A C acetyltransferase	0.0109	0.0818	0.1406
Entamoeba histolytica	bromodomain-containing protein	0.0064	0.026	0.1033
Trypanosoma cruzi	Bromodomain, putative	0.0064	0.026	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0342	0.3712	0.6383
Trypanosoma cruzi	Bromodomain, putative	0.0064	0.026	1
Echinococcus multilocularis	CREB binding protein	0.0197	0.1914	0.3291
Entamoeba histolytica	hypothetical protein	0.0064	0.026	0.1033
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0511	0.5815	1
Echinococcus granulosus	global transcription activator snf2l2	0.0193	0.1856	0.3192
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Schistosoma mansoni	hypothetical protein	0.006	0.0207	0.0356
Brugia malayi	TAZ zinc finger family protein	0.026	0.2691	0.2691
Trypanosoma cruzi	Bromodomain, putative	0.0064	0.026	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0397	0.0192
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0141	0.1214	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0511	0.5815	1
Brugia malayi	Bromodomain containing protein	0.0064	0.026	0.026
Schistosoma mansoni	bromodomain containing protein	0.0072	0.0353	0.0607
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.033	0.3559	0.5939
Trypanosoma cruzi	bromodomain factor 2 protein	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Onchocerca volvulus		0.0246	0.2516	1
Brugia malayi	Bromodomain containing protein	0.0205	0.2014	0.2014
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0198	0.1919	0.3299
Echinococcus granulosus	fetal alzheimer antigen falz	0.0089	0.0561	0.0964
Trypanosoma cruzi	bromodomain-containing protein 3	0.0064	0.026	1
Schistosoma mansoni	phd finger protein	0.0064	0.026	0.0447
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0511	0.5815	1
Toxoplasma gondii	bromodomain-containing protein	0.0246	0.2516	1
Echinococcus granulosus	peregrin	0.0064	0.026	0.0447
Schistosoma mansoni	transcription initiation factor tfiid	0.0064	0.026	0.0447
Trypanosoma brucei	Bromodomain factor 1	0.0064	0.026	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trypanosoma cruzi	Bromodomain, putative	0.0064	0.026	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.026	0.0053
Echinococcus granulosus	zinc finger protein	0.0132	0.11	0.1892
Schistosoma mansoni	hypothetical protein	0.0081	0.0467	0.0804
Brugia malayi	Bromodomain containing protein	0.0064	0.026	0.026
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0246	0.2516	0.4061
Trichomonas vaginalis	bromodomain containing protein, putative	0.033	0.3559	0.5939
Entamoeba histolytica	bromodomain-containing protein	0.0246	0.2516	1
Brugia malayi	hypothetical protein	0.0518	0.5901	0.5901
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0208	0.0208
Brugia malayi	BRM protein	0.0193	0.1856	0.1856
Brugia malayi	PHD-finger family protein	0.0262	0.2719	0.2719

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	14.1254 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	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: CHEMBL1704428

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 1519679