TDR Targets

Basic information

Technical information

TDR Targets ID: 1534270
Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-me thoxy-N-(3-methylpyridin-2-yl)benzamide
MW: 437.511 | Formula: C23H23N3O4S
H donors: 1 H acceptors: 4 LogP: 3.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1S(=O)(=O)N1CCCc2c1cccc2)C(=O)Nc1ncccc1C
InChi: 1S/C23H23N3O4S/c1-16-7-5-13-24-22(16)25-23(27)18-11-12-20(30-2)21(15-18)31(28,29)26-14-6-9-17-8-3-4-10-19(17)26/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,24,25,27)
InChiKey: GJJLFVQWMXSOBS-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

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-(3-methyl-2-pyridyl)benzamide
T5547034

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	glucose transporter, putative	0.0054	0.1063	0.3763
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0384	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.2826	0.2826
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0054	0.1063	0.304
Mycobacterium tuberculosis	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0172	0.4262	1
Plasmodium vivax	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0172	0.4262	0.3579
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Brugia malayi	Major Facilitator Superfamily protein	0.0054	0.1063	0.0793
Onchocerca volvulus		0.0054	0.1063	0.5
Brugia malayi	Major Facilitator Superfamily protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.1063	0.1063
Mycobacterium leprae	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0198	0.4954	0.5
Brugia malayi	Sugar transporter family protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0844	0.0567
Onchocerca volvulus		0.0054	0.1063	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.1063	0.1063
Trichomonas vaginalis	galactokinase, putative	0.0026	0.0293	0.0293
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3503	0.3307
Leishmania major	myo-inositol/proton symporter (MIT)	0.0054	0.1063	0.304
Trypanosoma cruzi	hexose transporter, putative	0.0119	0.2826	1
Onchocerca volvulus		0.0054	0.1063	0.5
Brugia malayi	hypothetical protein	0.0054	0.1063	0.0793
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0054	0.1063	0.0793
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0119	0.2826	1
Schistosoma mansoni	glucose transport protein	0.0384	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0384	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.1063	0.1063
Onchocerca volvulus		0.0054	0.1063	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.1063	0.1063
Trypanosoma cruzi	galactokinase, putative	0.0026	0.0293	0.1038
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0844	0.0567
Trypanosoma cruzi	hexose transporter, putative	0.0054	0.1063	0.3763
Trichomonas vaginalis	sugar transporter, putative	0.0119	0.2826	0.2826
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Mycobacterium ulcerans	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0198	0.4954	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Brugia malayi	major facilitator superfamily protein	0.0054	0.1063	0.0793
Onchocerca volvulus		0.0054	0.1063	0.5
Echinococcus granulosus	solute carrier family 22	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Plasmodium falciparum	hexose transporter	0.0384	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	synaptic vesicle 2 protein	0.0054	0.1063	0.0793
Schistosoma mansoni	sugar transporter	0.0054	0.1063	0.0793
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0844	0.0567
Toxoplasma gondii	facilitative glucose transporter GT1	0.0384	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0844	0.0567
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0054	0.1063	0.1941
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0384	1	1
Schistosoma mansoni	glucose transport protein	0.0384	1	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0119	0.2826	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0054	0.1063	0.0793
Echinococcus multilocularis	solute carrier family 22	0.0054	0.1063	0.0793
Schistosoma mansoni	sugar transporter	0.0054	0.1063	0.0793
Chlamydia trachomatis	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0183	0.4555	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0119	0.2826	1
Trypanosoma cruzi	sugar transporter, putative	0.0054	0.1063	0.3763
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0054	0.1063	0.1653
Echinococcus granulosus	solute carrier family 22	0.0054	0.1063	0.0793
Brugia malayi	Sugar transporter family protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	galactokinase, putative	0.0026	0.0293	0.0293
Trypanosoma cruzi	hexose transporter, putative	0.0065	0.1364	0.4827
Schistosoma mansoni	glucose transporter	0.0054	0.1063	0.0793
Echinococcus multilocularis	General substrate transporter	0.033	0.8538	0.8494
Onchocerca volvulus		0.0054	0.1063	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Treponema pallidum	hypothetical protein	0.0198	0.4954	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	galactokinase, putative	0.0026	0.0293	0.0293
Plasmodium falciparum	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative	0.0172	0.4262	0.3579
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0844	0.0567
Brugia malayi	Major Facilitator Superfamily protein	0.0054	0.1063	0.0793
Giardia lamblia	Sugar-proton symporter	0.0054	0.1063	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	solute carrier family 22	0.0054	0.1063	0.0793
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0119	0.2826	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0384	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0054	0.1063	0.0793
Brugia malayi	MH2 domain containing protein	0.0144	0.3503	0.3307
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0119	0.2826	1
Onchocerca volvulus		0.0054	0.1063	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0844	0.0567
Onchocerca volvulus		0.0054	0.1063	0.5
Plasmodium vivax	hexose transporter	0.0384	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Mycobacterium ulcerans	sugar transporter	0.0054	0.1063	0.1653
Trichomonas vaginalis	galactokinase, putative	0.0026	0.0293	0.0293
Trichomonas vaginalis	glucose transporter, putative	0.0119	0.2826	0.2826
Leishmania major	glucose transporter, lmgt3	0.0119	0.2826	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0054	0.1063	0.1941
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0384	1	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0384	1	1
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Toxoplasma gondii	sugar transporter ST2	0.0054	0.1063	0.0793
Brugia malayi	major facilitator superfamily protein	0.0054	0.1063	0.0793
Onchocerca volvulus		0.0054	0.1063	0.5
Loa Loa (eye worm)	sugar transporter	0.0054	0.1063	0.0793
Onchocerca volvulus	Putative transporter	0.0054	0.1063	0.5
Schistosoma mansoni	hypothetical protein	0.0384	1	1
Trypanosoma brucei	glucose transporter 1E	0.0119	0.2826	1
Trypanosoma brucei	glucose transporter 2A	0.0119	0.2826	1
Trypanosoma cruzi	hexose transporter, putative	0.0119	0.2826	1
Leishmania major	hypothetical protein, conserved	0.0054	0.1063	0.304
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Onchocerca volvulus		0.0054	0.1063	0.5
Onchocerca volvulus		0.0054	0.1063	0.5
Trypanosoma cruzi	mevalonate kinase, putative	0.0026	0.0293	0.1038
Onchocerca volvulus		0.0054	0.1063	0.5
Trypanosoma cruzi	homoserine kinase	0.0026	0.0293	0.1038
Toxoplasma gondii	sugar transporter ST1	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Brugia malayi	hypothetical protein	0.0054	0.1063	0.0793
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3503	0.3307
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Toxoplasma gondii	transporter, major facilitator family protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	sugar transporter, putative	0.0119	0.2826	0.2826
Trichomonas vaginalis	conserved hypothetical protein	0.0384	1	1
Trichomonas vaginalis	glucose transporter, putative	0.0119	0.2826	0.2826
Leishmania major	glucose transporter, lmgt1	0.0119	0.2826	1
Wolbachia endosymbiont of Brugia malayi	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0198	0.4954	1
Schistosoma mansoni	sugar transporter	0.0054	0.1063	0.0793
Schistosoma mansoni	glucose transport protein	0.0384	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trypanosoma brucei	sugar transporter, putative	0.0054	0.1063	0.304
Onchocerca volvulus		0.0054	0.1063	0.5
Leishmania major	glucose transporter, lmgt2	0.0119	0.2826	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0054	0.1063	0.1653
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0844	0.0567
Trypanosoma cruzi	galactokinase, putative	0.0026	0.0293	0.1038
Echinococcus multilocularis	solute carrier family 22	0.0054	0.1063	0.0793
Onchocerca volvulus		0.0054	0.1063	0.5
Entamoeba histolytica	galactokinase, putative	0.0026	0.0293	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0384	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Brugia malayi	hypothetical protein	0.0054	0.1063	0.0793
Trichomonas vaginalis	myo-inositol transporter, putative	0.0054	0.1063	0.1063
Giardia lamblia	Hexose transporter	0.0054	0.1063	1
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0384	1	1
Echinococcus multilocularis	solute carrier family 22	0.0054	0.1063	0.0793
Trypanosoma cruzi	hexose transporter	0.0119	0.2826	1
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.2826	0.2826
Trichomonas vaginalis	sugar transporter, putative	0.0119	0.2826	0.2826
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0844	0.0567
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Mycobacterium ulcerans	integral membrane transport protein	0.0054	0.1063	0.1653
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus granulosus	General substrate transporter	0.033	0.8538	0.8494
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Trypanosoma brucei	glucose transporter, putative	0.0119	0.2826	1
Onchocerca volvulus		0.0054	0.1063	0.5
Loa Loa (eye worm)	sugar transporter	0.0384	1	1
Toxoplasma gondii	sugar transporter ST3	0.0054	0.1063	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1063	0.0793
Onchocerca volvulus		0.0054	0.1063	0.5
Schistosoma mansoni	sugar transporter	0.0054	0.1063	0.0793
Echinococcus granulosus	solute carrier family 22	0.0054	0.1063	0.0793
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0054	0.1063	0.0793
Trypanosoma cruzi	homoserine kinase	0.0026	0.0293	0.1038
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Echinococcus multilocularis	solute carrier family 22	0.0054	0.1063	0.0793
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0844	0.0567
Trichomonas vaginalis	sugar transport protein, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	sugar transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	glucose transporter, putative	0.0054	0.1063	0.1063
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.1063	0.1063

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.6511 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)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1725375

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 1534270