TDR Targets

Basic information

Technical information

TDR Targets ID: 375055
Name: N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]qu inoline-5-sulfonamide
MW: 474.371 | Formula: C21H20BrN3O3S
H donors: 1 H acceptors: 4 LogP: 4.26 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(c(c1)NS(=O)(=O)c1cccc2c1cccn2)C(=O)N1CCCCC1
InChi: 1S/C21H20BrN3O3S/c22-15-9-10-17(21(26)25-12-2-1-3-13-25)19(14-15)24-29(27,28)20-8-4-7-18-16(20)6-5-11-23-18/h4-11,14,24H,1-3,12-13H2
InChiKey: KUMMDLYQUDTJKK-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-[5-bromo-2-[oxo(1-piperidyl)methyl]phenyl]-5-quinolinesulfonamide
N-(5-bromo-2-piperidin-1-ylcarbonyl-phenyl)quinoline-5-sulfonamide
N-[5-bromo-2-[oxo-(1-piperidyl)methyl]phenyl]-5-quinolinesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholecystokinin B receptor	Starlite/ChEMBL	References
Homo sapiens	cholecystokinin A receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	rhodopsin orphan GPCR	cholecystokinin A receptor	428 aa	373 aa	19.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0056	0.0198	0.0382
Onchocerca volvulus		0.0327	0.5167	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0289	0.0432
Onchocerca volvulus		0.0058	0.0226	0.0145
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0327	0.5167	1
Trypanosoma cruzi	histone deacetylase, putative	0.0115	0.127	0.1652
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0382
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0289	0.056
Mycobacterium tuberculosis	Probable oxidoreductase	0.0545	0.9148	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.041	0.6689	1
Leishmania major	C-8 sterol isomerase-like protein	0.041	0.6689	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0267	0.4058	0.3938
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0382
Schistosoma mansoni	histone deacetylase 4 5	0.0286	0.4412	0.854
Schistosoma mansoni	hypothetical protein	0.0184	0.2542	0.4921
Trypanosoma cruzi	histone deacetylase, putative	0.0286	0.4412	0.6493
Mycobacterium ulcerans	short chain dehydrogenase	0.0545	0.9148	1
Plasmodium falciparum	histone deacetylase 2	0.0286	0.4412	1
Entamoeba histolytica	histone deacetylase, putative	0.0267	0.4058	0.3921
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.3353	0.3415
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0056	0.0198	0.0382
Echinococcus granulosus	histone deacetylase	0.0286	0.4412	0.854
Schistosoma mansoni	protease m14 carboxypeptidase	0.0056	0.0198	0.0382
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0267	0.4058	0.3938
Echinococcus granulosus	histone deacetylase 8	0.0115	0.127	0.2457
Trypanosoma brucei	histone deacetylase 4	0.0286	0.4412	0.6493
Loa Loa (eye worm)	hypothetical protein	0.041	0.6689	1
Brugia malayi	Histone deacetylase family protein	0.0286	0.4412	0.6596
Loa Loa (eye worm)	hypothetical protein	0.021	0.3012	0.4503
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0056	0.0198	0.0382
Schistosoma mansoni	histone deacetylase hda2	0.0293	0.4539	0.8784
Brugia malayi	Rhodanese-like domain containing protein	0.0058	0.0226	0.0337
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.0327	0.5167	1
Echinococcus granulosus	histone deacetylase 6	0.0286	0.4412	0.854
Brugia malayi	Rhodanese-like domain containing protein	0.0058	0.0226	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0267	0.4058	0.6066
Brugia malayi	hypothetical protein	0.0264	0.3996	0.5974
Brugia malayi	Histone deacetylase family protein	0.0286	0.4412	0.6596
Schistosoma mansoni	hypothetical protein	0.0184	0.2542	0.4921
Onchocerca volvulus	Carboxypeptidase D homolog	0.0056	0.0198	0.0089
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0289	0.056
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0289	0.056
Schistosoma mansoni	peptidase	0.0056	0.0198	0.0382
Loa Loa (eye worm)	zinc carboxypeptidase	0.0056	0.0198	0.0295
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0075	0.0112
Brugia malayi	hypothetical protein	0.0162	0.2132	0.3187
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0214
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Brugia malayi	Carboxypeptidase A2 precursor	0.0056	0.0198	0.0295
Echinococcus multilocularis	histone deacetylase 3	0.0267	0.4058	0.7854
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0153	0.0296
Plasmodium falciparum	histone deacetylase, putative	0.0286	0.4412	1
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Echinococcus granulosus	histone deacetylase 3	0.0267	0.4058	0.7854
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0289	0.0432
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Onchocerca volvulus		0.0056	0.0198	0.0089
Trichomonas vaginalis	cdc25b, putative	0.0058	0.0226	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0289	0.056
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0226	0.0337
Trypanosoma brucei	C-8 sterol isomerase, putative	0.041	0.6689	1
Schistosoma mansoni	histone deacetylase	0.0267	0.4058	0.7854
Trypanosoma cruzi	histone deacetylase, putative	0.0286	0.4412	0.6493
Trypanosoma brucei	histone deacetylase, putative	0.0286	0.4412	0.6493
Echinococcus multilocularis	histone deacetylase 6	0.0286	0.4412	0.854
Plasmodium vivax	histone deacetylase, putative	0.0286	0.4412	1
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0058	0.0226	0.0029
Echinococcus multilocularis	histone deacetylase 1	0.0267	0.4058	0.7854
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.0591	1	1
Echinococcus multilocularis		0.0056	0.0198	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0271	0.4137	0.6185
Loa Loa (eye worm)	histone deacetylase	0.0286	0.4412	0.6596
Toxoplasma gondii	histone deacetylase HDAC2	0.0267	0.4058	0.9159
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Echinococcus multilocularis	histone deacetylase 6	0.0293	0.4539	0.8784
Echinococcus multilocularis	histone deacetylase 6	0.0286	0.4412	0.854
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0056	0.0198	0.0382
Echinococcus granulosus	histone deacetylase 1	0.0267	0.4058	0.7854
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0115	0.127	0.2227
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0141	0.0211
Brugia malayi	Histone deacetylase 1	0.0267	0.4058	0.6066
Loa Loa (eye worm)	histone deacetylase 7A	0.0286	0.4412	0.6596
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0064	0.0348	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Echinococcus granulosus	histone deacetylase 6	0.0286	0.4412	0.854
Loa Loa (eye worm)	hypothetical protein	0.0264	0.3996	0.5974
Brugia malayi	TAR-binding protein	0.0061	0.0289	0.0432
Trypanosoma brucei	histone deacetylase 3	0.0286	0.4412	0.6493
Plasmodium vivax	histone deacetylase, putative	0.0115	0.127	0.2544
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0289	0.056
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0058	0.0226	0.0437
Trypanosoma cruzi	histone deacetylase 1, putative	0.0267	0.4058	0.5947
Brugia malayi	histone deacetylase 3 (HD3)	0.0267	0.4058	0.6066
Schistosoma mansoni	peptidase	0.0056	0.0198	0.0382
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0289	0.056
Toxoplasma gondii	histone deacetylase HDAC5	0.0115	0.127	0.2544
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0143	0.0214
Plasmodium vivax	histone deacetylase 2, putative	0.0286	0.4412	1
Schistosoma mansoni	hypothetical protein	0.0056	0.0198	0.0382
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0327	0.5167	1
Onchocerca volvulus		0.0058	0.0226	0.0145
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0064	0.0348	0.0674
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Schistosoma mansoni	peptidase	0.0056	0.0198	0.0382
Toxoplasma gondii	histone deacetylase HDAC3	0.0267	0.4058	0.9159
Schistosoma mansoni	histone deacetylase	0.0267	0.4058	0.7854
Onchocerca volvulus		0.0058	0.0226	0.0145
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0058	0.0226	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Toxoplasma gondii	histone deacetylase HDAC4	0.0115	0.127	0.2544
Brugia malayi	histone deacetylase 1 (HD1)	0.0267	0.4058	0.6066
Leishmania major	histone deacetylase, putative	0.0267	0.4058	0.5947
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0058	0.0226	0.0029
Onchocerca volvulus		0.0058	0.0226	0.0145
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Trypanosoma cruzi	histone deacetylase, putative	0.0286	0.4412	0.6493
Echinococcus multilocularis	geminin	0.0184	0.2542	0.4921
Echinococcus multilocularis	histone deacetylase 8	0.0115	0.127	0.2457
Brugia malayi	hypothetical protein	0.0264	0.3998	0.5977
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0056	0.0198	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0178	0.2437	0.3643
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0058	0.0226	0.0437
Schistosoma mansoni	hypothetical protein	0.0054	0.0153	0.0296
Leishmania major	histone deacetylase, putative	0.0267	0.4058	0.5947
Leishmania major	histone deacetylase, putative	0.0286	0.4412	0.6493
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0075	0.0112
Giardia lamblia	Histone deacetylase	0.0267	0.4058	1
Plasmodium vivax	histone deacetylase 1, putative	0.0267	0.4058	0.9159
Loa Loa (eye worm)	histone deacetylase 3	0.0267	0.4058	0.6066
Echinococcus granulosus	survival motor neuron protein 1	0.0264	0.3998	0.7738
Echinococcus multilocularis	histone deacetylase 7	0.0286	0.4412	0.854
Loa Loa (eye worm)	zinc carboxypeptidase	0.0056	0.0198	0.0295
Loa Loa (eye worm)	histone deacetylase 11	0.0115	0.127	0.1898
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0058	0.0226	0.0437
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0058	0.0226	0.0029
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Loa Loa (eye worm)	zinc carboxypeptidase	0.0056	0.0198	0.0295
Schistosoma mansoni	histone deacetylase hda2	0.0115	0.127	0.2457
Echinococcus granulosus	histone deacetylase 6	0.0293	0.4539	0.8784
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.041	0.6689	1
Brugia malayi	histone deacetylase 11	0.0115	0.127	0.1898
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0056	0.0198	0.0382
Onchocerca volvulus		0.0162	0.2132	0.3946
Leishmania major	histone deacetylase, putative	0.0286	0.4412	0.6493
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	zinc carboxypeptidase	0.0056	0.0198	0.0295
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0289	0.0432
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0327	0.5167	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0064	0.0348	0.0674
Echinococcus multilocularis	survival motor neuron protein 1	0.0264	0.3998	0.7738
Loa Loa (eye worm)	hypothetical protein	0.0264	0.3998	0.5977
Trichomonas vaginalis	histone deacetylase, putative	0.0267	0.4058	0.3938
Trichomonas vaginalis	cdc25b, putative	0.0058	0.0226	0.0029
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Toxoplasma gondii	histone deacetylase HDAC1	0.0286	0.4412	1
Trypanosoma brucei	histone deacetylase 1	0.0267	0.4058	0.5947
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0056	0.0198	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0115	0.127	0.1898
Trichomonas vaginalis	cdc25c, putative	0.0058	0.0226	0.0029
Echinococcus multilocularis	histone deacetylase	0.0286	0.4412	0.854
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0289	0.0432
Schistosoma mansoni	histone deacetylase 1 2 3	0.0115	0.127	0.2457
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0058	0.0226	0.0029
Onchocerca volvulus		0.0327	0.5167	1
Onchocerca volvulus		0.0056	0.0198	0.0089
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0289	0.056
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0064	0.0348	0.0232
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0075	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	histone deacetylase 1	0.0267	0.4058	0.6066
Trypanosoma cruzi	histone deacetylase 1, putative	0.0267	0.4058	0.5947
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0226	0.0337
Trypanosoma brucei	histone deacetylase 2	0.0115	0.127	0.1652
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0153	0.0229
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0267	0.4058	0.3938
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0075	0.0112
Brugia malayi	sulfakinin receptor protein	0.0264	0.3996	0.5974
Brugia malayi	Zinc carboxypeptidase family protein	0.0056	0.0198	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0172	0.2311	0.3454
Onchocerca volvulus		0.0327	0.5167	1
Echinococcus granulosus	geminin	0.0184	0.2542	0.4921
Schistosoma mansoni	histone deacetylase 4 5	0.0286	0.4412	0.854
Onchocerca volvulus		0.0327	0.5167	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2132	0.3187
Brugia malayi	RNA binding protein	0.0061	0.0289	0.0432
Trypanosoma cruzi	histone deacetylase, putative	0.0115	0.127	0.1652
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0064	0.0348	0.0521
Echinococcus granulosus	histone deacetylase 7	0.0286	0.4412	0.854

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -6.1	Displacement of [125I]CCK-8S from human CCK2R	ChEMBL.	17034143
Ki (binding)	= -6.1	Displacement of [125I]CCK8S from human CCK2R	ChEMBL.	18289861
Ki (binding)	< -5	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Ki (binding)	< -5	Displacement of [125I]CCK8S from human CCK1R	ChEMBL.	18289861
Ki (binding)	> 10 uM	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Ki (binding)	> 10 uM	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Log Ki (binding)	< 5	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Log Ki (binding)	< 5	Displacement of [125I]CCK8S from human CCK1R	ChEMBL.	18289861
Log Ki (binding)	= 6.1	Displacement of [125I]CCK-8S from human CCK2R	ChEMBL.	17034143
Log Ki (binding)	= 6.1	Displacement of [125I]CCK8S from human CCK2R	ChEMBL.	18289861

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: CHEMBL386976
PubChem: 16090784

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 375055