TDR Targets

Basic information

Technical information

TDR Targets ID: 1435510
Name: N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfo nylbenzamide
MW: 345.416 | Formula: C17H19N3O3S
H donors: 1 H acceptors: 4 LogP: 1.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc(c1)S(=O)(=O)N1CCCC1)NCc1cccnc1
InChi: 1S/C17H19N3O3S/c21-17(19-13-14-5-4-8-18-12-14)15-6-3-7-16(11-15)24(22,23)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H,19,21)
InChiKey: LFMNRHKNZHRNRC-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-(3-pyridylmethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide
N-(3-pyridylmethyl)-3-1-pyrrolidinylsulfonylbenzamide
N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonyl-benzamide
BAS 01257591
N-Pyridin-3-ylmethyl-3-(pyrrolidine-1-sulfonyl)-benzamide
A1535/0066728
AG-205/36981050
Oprea1_047015
EU-0084806

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Tubulin beta 2C chain	0.005	0.4071	0.534
Brugia malayi	Bromodomain containing protein	0.0046	0.3599	0.2673
Echinococcus granulosus	beta tubulin	0.005	0.4071	0.534
Loa Loa (eye worm)	hypothetical protein	0.0052	0.4357	0.4709
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.3186	0.4076
Echinococcus multilocularis	tubulin beta 1 chain	0.005	0.4071	0.534
Leishmania major	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.005	0.4071	0.534
Entamoeba histolytica	tubulin family protein	0.005	0.4071	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.3186	0.4076
Leishmania major	beta tubulin	0.005	0.4071	0.5
Brugia malayi	beta-tubulin, identical	0.005	0.4071	0.3213
Loa Loa (eye worm)	tubulin beta-1 chain	0.005	0.4071	0.4399
Leishmania major	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Echinococcus multilocularis	beta tubulin	0.005	0.4071	0.534
Entamoeba histolytica	tubulin family protein	0.005	0.4071	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.005	0.4071	0.5
Brugia malayi	Tubulin beta-1 chain	0.005	0.4071	0.3213
Leishmania major	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Toxoplasma gondii	beta tubulin	0.005	0.4071	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.7332	1
Echinococcus granulosus	tubulin beta 1 chain	0.005	0.4071	0.534
Loa Loa (eye worm)	hypothetical protein	0.0049	0.4024	0.4348
Trichomonas vaginalis	tubulin beta chain, putative	0.005	0.4071	0.5
Toxoplasma gondii	beta-tubulin, putative	0.005	0.4071	0.5
Echinococcus multilocularis	tubulin subunit beta	0.005	0.4071	0.534
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Toxoplasma gondii	beta-1 tubulin, putative	0.005	0.4071	0.5
Loa Loa (eye worm)	BEN-1 protein	0.005	0.4071	0.4399
Plasmodium vivax	tubulin beta chain, putative	0.005	0.4071	0.5
Trypanosoma brucei	beta tubulin	0.005	0.4071	0.5
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Leishmania major	beta tubulin	0.005	0.4071	0.5
Loa Loa (eye worm)	tubulin beta-4 chain	0.005	0.4071	0.4399
Trichomonas vaginalis	tubulin, putative	0.005	0.4071	0.5
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Loa Loa (eye worm)	BEN-1 protein	0.005	0.4071	0.4399
Leishmania major	beta tubulin	0.005	0.4071	0.5
Echinococcus granulosus	beta tubulin	0.005	0.4071	0.534
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Leishmania major	beta tubulin	0.005	0.4071	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Trypanosoma cruzi	beta tubulin, putative	0.005	0.4071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.3611	0.3902
Echinococcus granulosus	Tubulin beta 2C chain	0.005	0.4071	0.534
Trypanosoma brucei	beta tubulin	0.005	0.4071	0.5
Loa Loa (eye worm)	beta-tubulin	0.005	0.4071	0.4399
Echinococcus multilocularis	Tubulin beta 2C chain	0.005	0.4071	0.534
Echinococcus multilocularis	Tubulin beta 2C chain	0.005	0.4071	0.534
Echinococcus granulosus	Tubulin beta 2C chain	0.005	0.4071	0.534
Echinococcus granulosus	tubulin beta 4A class IVa	0.005	0.4071	0.534
Giardia lamblia	Beta tubulin	0.005	0.4071	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0851	0.0739
Trichomonas vaginalis	tubulin epsilon chain, putative	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0518	0.0559
Trichomonas vaginalis	tubulin epsilon chain, putative	0.005	0.4071	0.5
Giardia lamblia	Beta tubulin	0.005	0.4071	0.5
Schistosoma mansoni	tubulin subunit beta	0.005	0.4071	0.4903
Leishmania major	beta tubulin	0.005	0.4071	0.5
Schistosoma mansoni	bromodomain containing protein	0.0076	0.7956	1
Echinococcus multilocularis	beta tubulin	0.005	0.4071	0.534
Echinococcus multilocularis	Tubulin beta 2C chain	0.005	0.4071	0.534
Leishmania major	beta tubulin	0.005	0.4071	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.005	0.4071	0.534
Echinococcus multilocularis	Tubulin beta 2C chain	0.005	0.4071	0.534
Loa Loa (eye worm)	hypothetical protein	0.0085	0.9254	1
Giardia lamblia	Beta tubulin	0.005	0.4071	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.7332	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0851	0.0679
Trypanosoma brucei	beta tubulin	0.005	0.4071	0.5
Leishmania major	beta tubulin	0.005	0.4071	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0851	0.0739
Schistosoma mansoni	hypothetical protein	0.0025	0.0518	0.0242
Loa Loa (eye worm)	tubulin beta chain	0.005	0.4071	0.4399
Plasmodium falciparum	tubulin beta chain	0.005	0.4071	0.5
Echinococcus granulosus	tubulin subunit beta	0.005	0.4071	0.534
Echinococcus granulosus	Tubulin beta 2C chain	0.005	0.4071	0.534
Echinococcus granulosus	Tubulin beta 2C chain	0.005	0.4071	0.534
Loa Loa (eye worm)	tubulin beta-2A chain	0.005	0.4071	0.4399
Leishmania major	beta tubulin	0.005	0.4071	0.5
Trypanosoma brucei	beta tubulin	0.005	0.4071	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	47.4436 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1607782

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 1435510