TDR Targets

Basic information

Technical information

TDR Targets ID: 1550987
Name: N-[1-(4-chloro-3-fluorophenyl)sulfonylpiperid in-4-yl]pyridine-3-carboxamide
MW: 397.852 | Formula: C17H17ClFN3O3S
H donors: 1 H acceptors: 4 LogP: 2.26 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccnc1)NC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)F)Cl
InChi: 1S/C17H17ClFN3O3S/c18-15-4-3-14(10-16(15)19)26(24,25)22-8-5-13(6-9-22)21-17(23)12-2-1-7-20-11-12/h1-4,7,10-11,13H,5-6,8-9H2,(H,21,23)
InChiKey: LPJNECFZSGPGSH-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-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]pyridine-3-carboxamide
N-[1-(4-chloro-3-fluorophenyl)sulfonyl-4-piperidinyl]-3-pyridinecarboxamide
N-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]nicotinamide
N-[1-(4-chloro-3-fluoro-phenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0024	0.2046	1
Schistosoma mansoni	brg-1 associated factor	0.0067	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0024	0.2046	0.2046
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0024	0.2046	1
Leishmania major	hypothetical protein, conserved	0.0024	0.2046	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0024	0.2046	0.0983
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0067	1	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0024	0.2046	1
Schistosoma mansoni	hypothetical protein	0.0041	0.5269	0.4636
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.2046	1
Schistosoma mansoni	hypothetical protein	0.0067	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2046	0.2046
Loa Loa (eye worm)	hypothetical protein	0.006	0.8793	0.8793
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2046	0.2046
Brugia malayi	YY1-associated factor 2	0.0024	0.2046	0.2046
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0024	0.2046	0.2046
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0067	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0067	1	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0067	1	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0067	1	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0067	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0024	0.2046	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0067	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.5269	0.5269
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.1179	0.1179
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0067	1	0.5
Schistosoma mansoni	fusion	0.0024	0.2046	0.0983
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.8793	0.8793
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0067	1	1
Leishmania major	hypothetical protein, conserved	0.0024	0.2046	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0024	0.2046	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0024	0.2046	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.8793	0.8793
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0067	1	1
Echinococcus granulosus	ring and YY1 binding protein	0.0024	0.2046	0.0983
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.2046	1
Brugia malayi	brahma associated protein 60 kDa	0.0067	1	1
Chlamydia trachomatis	DNA topoisomerase I	0.0067	1	0.5
Loa Loa (eye worm)	brahma associated protein	0.0067	1	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0024	0.2046	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.1179	0.1179
Schistosoma mansoni	TRABID protein (C64 family)	0.0024	0.2046	0.0983
Leishmania major	hypothetical protein, conserved	0.0024	0.2046	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0024	0.2046	0.0983
Schistosoma mansoni	hypothetical protein	0.0067	1	1
Chlamydia trachomatis	SWIB complex protein	0.0067	1	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.2046	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0067	1	1
Leishmania major	hypothetical protein, conserved	0.0024	0.2046	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0067	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0067	1	1
Leishmania major	hypothetical protein, conserved	0.0024	0.2046	1
Schistosoma mansoni	hypothetical protein	0.0067	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0067	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1179	0.1179
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2046	0.2046
Onchocerca volvulus		0.0067	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0024	0.2046	0.2046
Echinococcus granulosus	zinc finger protein Ran binding	0.0024	0.2046	0.0983
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0024	0.2046	1
Schistosoma mansoni	hypothetical protein	0.0024	0.2046	0.0983
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.1179	0.1179
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0024	0.2046	0.2046
Schistosoma mansoni	zinc finger protein	0.0024	0.2046	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2046	0.2046
Schistosoma mansoni	RNA binding protein	0.0024	0.2046	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2046	0.2046
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0024	0.2046	0.0983
Echinococcus multilocularis	ring and YY1 binding protein	0.0024	0.2046	0.0983
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.2046	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.2046	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.5269	0.5269
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0024	0.2046	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0024	0.2046	0.0983
Echinococcus granulosus	Zinc finger RanBP2 type	0.0024	0.2046	0.0983
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.8793	0.8793
Echinococcus granulosus	SWI:SNF matrix associated	0.0067	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	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
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

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: CHEMBL1880199

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 1550987