TDR Targets

Basic information

Technical information

TDR Targets ID: 1406872
Name: N-cyclopentyl-1-quinolin-8-ylsulfonylpiperidi ne-4-carboxamide
MW: 387.496 | Formula: C20H25N3O3S
H donors: 1 H acceptors: 4 LogP: 2.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccc2c1nccc2)NC1CCCC1
InChi: 1S/C20H25N3O3S/c24-20(22-17-7-1-2-8-17)16-10-13-23(14-11-16)27(25,26)18-9-3-5-15-6-4-12-21-19(15)18/h3-6,9,12,16-17H,1-2,7-8,10-11,13-14H2,(H,22,24)
InChiKey: JDVLIECONSHSRX-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-cyclopentyl-1-(8-quinolylsulfonyl)piperidine-4-carboxamide
N-cyclopentyl-1-(8-quinolylsulfonyl)-4-piperidinecarboxamide
N-cyclopentyl-1-(8-quinolylsulfonyl)isonipecotamide
N-cyclopentyl-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide
MLS000091945
N-cyclopentyl-1-(quinolin-8-ylsulfonyl)piperidine-4-carboxamide
SMR000026469

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089

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
Trypanosoma cruzi	cysteine proteinase, putative	0.0262	0.2408	0.2408
Echinococcus multilocularis	cathepsin b	0.038	0.6184	0.4973
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0262	0.2408	0.2408
Entamoeba histolytica	cysteine proteinase, putative	0.0338	0.4823	0.3182
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0338	0.4823	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2408	0.2408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2408	0.2408
Brugia malayi	follicle stimulating hormone receptor	0.028	0.2976	0.0748
Brugia malayi	Cathepsin L-like precursor	0.0338	0.4823	0.3182
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0338	0.4823	0.4823
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0262	0.2408	0.2408
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.038	0.6184	0.6184
Echinococcus granulosus	cathepsin l1	0.0338	0.4823	0.3182
Trypanosoma cruzi	cysteine protease, putative	0.0262	0.2408	0.2408
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.6184	0.6184
Loa Loa (eye worm)	hypothetical protein	0.038	0.6184	0.6184
Brugia malayi	cathepsin L-like precursor	0.0338	0.4823	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0338	0.4823	0.4823
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0262	0.2408	0.2408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0338	0.4823	0.4823
Loa Loa (eye worm)	hypothetical protein	0.0338	0.4823	0.4823
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.6184	0.6184
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.6184	0.6184
Echinococcus multilocularis	cathepsin b	0.038	0.6184	0.4973
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.038	0.6184	0.6184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.2408	0.2408
Brugia malayi	Cathepsin L-like precursor	0.0338	0.4823	0.3182
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.028	0.2976	0.2976
Schistosoma mansoni	cathepsin F (C01 family)	0.0338	0.4823	0.4823
Echinococcus granulosus	cathepsin b	0.038	0.6184	0.4973
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0262	0.2408	0.2408
Trypanosoma cruzi	cysteine proteinase, putative	0.0262	0.2408	0.2408
Brugia malayi	cathepsin B-like cysteine proteinase	0.038	0.6184	0.4973
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0338	0.4823	0.4823
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0262	0.2408	0.2408
Echinococcus granulosus	cathepsin b	0.038	0.6184	0.4973
Trypanosoma cruzi	cysteine peptidase, putative	0.0262	0.2408	0.2408
Loa Loa (eye worm)	hypothetical protein	0.0338	0.4823	0.4823

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 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: CHEMBL1543144

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 1406872