TDR Targets

Basic information

Technical information

TDR Targets ID: 1413399
Name: 1-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylpipe ridine-4-carboxamide
MW: 379.861 | Formula: C17H18ClN3O3S
H donors: 1 H acceptors: 4 LogP: 1.96 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)Nc1cccnc1
InChi: 1S/C17H18ClN3O3S/c18-14-3-5-16(6-4-14)25(23,24)21-10-7-13(8-11-21)17(22)20-15-2-1-9-19-12-15/h1-6,9,12-13H,7-8,10-11H2,(H,20,22)
InChiKey: UUTSGVHFCASIPH-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

1-(4-chlorophenyl)sulfonyl-N-(3-pyridyl)piperidine-4-carboxamide
1-(4-chlorophenyl)sulfonyl-N-(3-pyridyl)-4-piperidinecarboxamide
1-(4-chlorophenyl)sulfonyl-N-(3-pyridyl)isonipecotamide
1-(4-chlorophenyl)sulfonyl-N-pyridin-3-yl-piperidine-4-carboxamide
STOCK6S-38606

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Mycobacterium tuberculosis	Probable aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068
Trichomonas vaginalis	acetylornithine aminotransferase, putative	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_128068	All targets in OG5_128068

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	437 aa	397 aa	28.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.7947
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0805	0.0967
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.7947
Echinococcus multilocularis	nmda type glutamate receptor	0.0026	0.0126	0.0151
Onchocerca volvulus		0.004	0.0665	0.0799
Echinococcus multilocularis	sodium and chloride dependent glycine	0.004	0.0665	0.0799
Echinococcus granulosus	serotonin transporter	0.0235	0.8325	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0805	0.0967
Leishmania major	hypothetical protein, conserved	0.0043	0.0805	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0805	0.0691
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0805	0.1104
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Onchocerca volvulus		0.004	0.0665	0.0799
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0184	0.6303	1
Echinococcus granulosus	ornithine aminotransferase	0.0026	0.0123	0.0147
Echinococcus granulosus	sodium and chloride dependent glycine	0.004	0.0665	0.0799
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0805	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.004	0.0665	0.0799
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0184	0.6303	1
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0026	0.0123	0.5
Toxoplasma gondii	hypothetical protein	0.004	0.0665	0.7947
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0805	0.5
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.004	0.0665	0.0799
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0665	0.0799
Onchocerca volvulus		0.0235	0.8325	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0235	0.8325	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.004	0.0665	0.0799
Brugia malayi	beta-lactamase	0.0043	0.0805	0.0967
Plasmodium falciparum	amino acid transporter, putative	0.004	0.0665	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0805	0.5
Loa Loa (eye worm)	serotonin transporter b	0.0235	0.8325	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0805	0.1104
Brugia malayi	beta-lactamase family protein	0.0043	0.0805	0.0967
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Onchocerca volvulus		0.0043	0.0805	0.0967
Schistosoma mansoni	sodium-dependent amino acid transporter	0.004	0.0665	0.0799
Echinococcus granulosus	Aminotransferase class III	0.0026	0.0123	0.0147
Onchocerca volvulus		0.0043	0.0805	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0805	0.0691
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0235	0.8325	1
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0805	0.0967
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0805	0.0691
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0184	0.6303	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0235	0.8325	1
Brugia malayi	hypothetical protein	0.004	0.0665	0.0799
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Treponema pallidum	sodium- and chloride- dependent transporter	0.0235	0.8325	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0805	0.0967
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0235	0.8325	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0805	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Schistosoma mansoni	sodium/chloride dependent transporter	0.004	0.0665	0.0799
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0805	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0235	0.8325	1
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0123	0.0147
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0805	0.1104
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0026	0.0123	0.0147
Loa Loa (eye worm)	norepinephrine transporter	0.0235	0.8325	1
Echinococcus granulosus	nmda type glutamate receptor	0.0026	0.0126	0.0151
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0665	0.0799
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.004	0.0665	0.0799
Plasmodium falciparum	transporter, putative	0.004	0.0665	1
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0026	0.0123	0.0147
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0805	0.1104
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.004	0.0665	0.0799
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0805	0.0691
Echinococcus multilocularis	serotonin transporter	0.0235	0.8325	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0665	0.7947
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0123	0.0147
Plasmodium vivax	amine transporter, putative	0.004	0.0665	0.7947
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0805	0.0967
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0805	0.0967
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0665	0.0799
Echinococcus granulosus	sodium and chloride dependent glycine	0.004	0.0665	0.0799
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0805	0.0691
Onchocerca volvulus		0.004	0.0665	0.0799
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.004	0.0665	0.0799
Schistosoma mansoni	sodium/chloride dependent transporter	0.0235	0.8325	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.004	0.0665	0.0799
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0026	0.0126	0.0151
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0805	0.0691
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0805	0.0691
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0805	0.0691
Toxoplasma gondii	ABC1 family protein	0.0043	0.0805	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.0799
Mycobacterium ulcerans	lipase LipD	0.0043	0.0805	0.1104
Mycobacterium tuberculosis	Probable aminotransferase	0.0184	0.6303	0.6257
Onchocerca volvulus		0.0043	0.0805	0.0967
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.004	0.0665	0.0799
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0805	0.0691
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0235	0.8325	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0665	0.0799
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.004	0.0665	0.0799
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0805	0.1104
Mycobacterium ulcerans	hypothetical protein	0.0184	0.6303	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0665	0.0799
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0665	0.0799
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0805	0.0967
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0805	0.5
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.004	0.0665	0.0799
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0184	0.6303	0.6257
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.7947
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Toxoplasma gondii	hypothetical protein	0.004	0.0665	0.7947
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0805	0.0967
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.004	0.0665	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.004	0.0665	0.0799
Echinococcus multilocularis	Aminotransferase class III	0.0026	0.0123	0.0147
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0665	0.0799
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0665	0.0799
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0805	0.1104

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	0.711 uM	PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7079 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)	100 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: CHEMBL1545096

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1413399