TDR Targets

Basic information

Technical information

TDR Targets ID: 1702165
Name: 1-naphthalen-2-ylsulfonyl-N-(2-pyridin-2-ylet hyl)piperidine-4-carboxamide
MW: 423.528 | Formula: C23H25N3O3S
H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2)NCCc1ccccn1
InChi: 1S/C23H25N3O3S/c27-23(25-14-10-21-7-3-4-13-24-21)19-11-15-26(16-12-19)30(28,29)22-9-8-18-5-1-2-6-20(18)17-22/h1-9,13,17,19H,10-12,14-16H2,(H,25,27)
InChiKey: MPFDEMZUWKVTKQ-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-(2-naphthylsulfonyl)-N-[2-(2-pyridyl)ethyl]piperidine-4-carboxamide
1-(2-naphthylsulfonyl)-N-[2-(2-pyridyl)ethyl]-4-piperidinecarboxamide
1-(2-naphthylsulfonyl)-N-[2-(2-pyridyl)ethyl]isonipecotamide
ZINC01345796
MLS000715948
SMR000277465
ASN 08920905

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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
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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
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 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0956	0.1096
Plasmodium falciparum	endonuclease/exonuclease/phosphatase family protein, putative	0.0004	0.0071	0.0265
Echinococcus multilocularis	cpg binding protein	0.0033	0.4688	0.5719
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.268	1
Schistosoma mansoni	ap endonuclease	0.0021	0.268	0.268
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.268	0.3232
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Entamoeba histolytica	endonuclease/exonuclease/phosphatase domain containing protein	0.0004	0.0071	0.0265
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.268	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Schistosoma mansoni	neutral sphingomyelinase	0.0004	0.0071	0.0071
Trichomonas vaginalis	type IV inositol 5-phosphatase, putative	0.0004	0.0071	0.0199
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.268	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Trichomonas vaginalis	sphingomyelinase C 2 precursor, putative	0.0004	0.0071	0.0199
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.8143	1
Trichomonas vaginalis	helicase, putative	0.0007	0.0542	0.1969
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.8869	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Schistosoma mansoni	ocrl type II inositol 5-phosphatase	0.0004	0.0071	0.0071
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0542	0.1969
Echinococcus granulosus	cpg binding protein	0.0033	0.4688	0.5719
Plasmodium falciparum	exodeoxyribonuclease III, putative	0.0004	0.0071	0.0265
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Trichomonas vaginalis	skeletal muscle/kidney enriched inositol 5-phosphatase, putative	0.0004	0.0071	0.0199
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.268	0.3232
Schistosoma mansoni	ap endonuclease	0.0021	0.268	0.268
Plasmodium falciparum	DNase I-like protein, putative	0.0004	0.0071	0.0265
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.268	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Trichomonas vaginalis	ocrl type II inositol 5-phosphatase, putative	0.0004	0.0071	0.0199
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.268	1
Schistosoma mansoni	cpg binding protein	0.0032	0.4403	0.4403
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0071	0.0199
Schistosoma mansoni	carbon catabolite repressor protein	0.0004	0.0071	0.0071
Schistosoma mansoni	nocturnin	0.0004	0.0071	0.0071
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0956	0.1096
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0004	0.0071	0.0265
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.8143	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0542	0.1969
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.268	1
Schistosoma mansoni	cpg binding protein	0.0033	0.4688	0.4688
Toxoplasma gondii	exonuclease III APE	0.0021	0.268	0.2966
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.268	0.3232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.8143	0.8143
Schistosoma mansoni	hypothetical protein	0.0004	0.0071	0.0071
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0651	0.0651
Entamoeba histolytica	inositol polyphosphate-5-phosphatase, putative	0.0004	0.0071	0.0265
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0936	0.1071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.8143	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Onchocerca volvulus		0.0032	0.4403	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0651	0.0719
Schistosoma mansoni	synaptojanin	0.0004	0.0071	0.0071
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.8143	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.268	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0956	0.1096
Schistosoma mansoni	synaptojanin	0.0004	0.0071	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0071	0.0199
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0127	0.0127
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.268	1
Entamoeba histolytica	sphingomyelinase C precursor, putative	0.0004	0.0071	0.0265
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.8143	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.268	1
Entamoeba histolytica	endonuclease/exonuclease/phosphatase family protein	0.0004	0.0071	0.0265
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.4403	0.5367
Trichomonas vaginalis	Phospholipase C precursor, putative	0.0004	0.0071	0.0199
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0542	0.1969
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0651	0.0719
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0651	0.0719
Brugia malayi	CXXC zinc finger family protein	0.0032	0.4403	0.5367
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.268	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.8143	1
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.268	1
Trichomonas vaginalis	carbon catabolite repressor protein, putative	0.0004	0.0071	0.0199
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.268	0.3232
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0542	0.1969
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.268	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.8143	0.8143
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.8143	0.8143
Schistosoma mansoni	cpg binding protein	0.0033	0.4688	0.4688
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.268	1
Schistosoma mansoni	cript-related	0.0004	0.0071	0.0071
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.268	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0651	0.0719
Plasmodium falciparum	carbon catabolite repressor protein 4, putative	0.0004	0.0071	0.0265
Trichomonas vaginalis	type II inositol 5-phosphatase, putative	0.0004	0.0071	0.0199
Entamoeba histolytica	endonuclease/exonuclease/phosphatase domain containing protein	0.0004	0.0071	0.0265
Entamoeba histolytica	inositol polyphosphate 5-phosphatase, putative	0.0004	0.0071	0.0265

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 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

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: CHEMBL2143700

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1702165