TDR Targets

Basic information

Technical information

TDR Targets ID: 1300256
Name: N-pyridin-2-yl-4-pyrrolidin-1-ylsulfonylbenza mide
MW: 331.389 | Formula: C16H17N3O3S
H donors: 1 H acceptors: 4 LogP: 1.66 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)S(=O)(=O)N1CCCC1)Nc1ccccn1
InChi: 1S/C16H17N3O3S/c20-16(18-15-5-1-2-10-17-15)13-6-8-14(9-7-13)23(21,22)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2,(H,17,18,20)
InChiKey: IKLCHNLDNCQNBQ-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-(2-pyridyl)-4-pyrrolidin-1-ylsulfonyl-benzamide
N-(2-pyridyl)-4-1-pyrrolidinylsulfonylbenzamide
N-pyridin-2-yl-4-pyrrolidin-1-ylsulfonyl-benzamide
ZINC08048335

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.5313	0.528
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.5313	0.528
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.5313	0.511
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.5313	0.528
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.5313	1
Schistosoma mansoni	DNA helicase recq5	0.002	0.1859	0.1801
Entamoeba histolytica	recQ family helicase, putative	0.002	0.1859	0.3498
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.5008	0.9115
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.5313	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.5008	0.4972
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0071	0.0133
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.4295	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.5313	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.5313	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.5313	0.4244
Schistosoma mansoni	DNA polymerase eta	0.0064	1	1
Plasmodium vivax	DNA repair protein REV1, putative	0.0012	0.0416	1
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.5008	0.3868
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.5313	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.1859	0.3642
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0012	0.0416	0.0816
Leishmania major	DNA polymerase eta, putative	0.0064	1	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5008	0.4791
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.1859	0.1505
Trypanosoma cruzi	DNA damage repair protein, putative	0.0012	0.0416	0.0348
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.5008	0.9115
Echinococcus granulosus	dna polymerase eta	0.0064	1	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0012	0.0416	0.0816
Trypanosoma brucei	DNA polymerase eta, putative	0.0064	1	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0071	0.17
Trypanosoma cruzi	DNA polymerase eta, putative	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0416	0.0348
Giardia lamblia	DINP protein human, muc B family	0.0039	0.5313	1
Brugia malayi	Inositol-1	0.0037	0.5008	0.4791
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.5103	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.1859	0.1505
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5008	0.4791
Trypanosoma cruzi	DNA damage repair protein, putative	0.0012	0.0416	0.0348
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.5313	0.528
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.5313	0.4244
Schistosoma mansoni	DNA polymerase IV / kappa	0.0012	0.0416	0.0348
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.0071	0.5
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.5008	0.9425
Leishmania major	DNA polymerase eta, putative	0.0038	0.5103	0.489
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5008	0.4972
Schistosoma mansoni	DNA helicase recq1	0.002	0.1859	0.1801
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.5008	0.3868
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.5313	1
Mycobacterium ulcerans	DNA polymerase IV	0.0039	0.5313	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0416	0.0348
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	0.1859	0.2945
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.3109	0.281
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.5313	0.511
Leishmania major	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Schistosoma mansoni	inositol monophosphatase	0.0037	0.5008	0.4972
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.1859	0.3642
Echinococcus multilocularis	dna polymerase eta	0.0064	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.5313	0.511
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0071	0.0139
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.5313	0.4244
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.5008	0.4972
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.1859	0.1505
Loa Loa (eye worm)	inositol-1	0.0037	0.5008	0.4972
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.1859	0.1801
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.1859	0.1801
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.5313	0.511
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.5313	0.511
Loa Loa (eye worm)	hypothetical protein	0.002	0.1859	0.1801
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.1859	1
Trypanosoma brucei	unspecified product	0.0039	0.5313	0.511
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.5313	0.528
Loa Loa (eye worm)	hypothetical protein	0.0064	1	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.1859	0.1505
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.5008	0.9813
Loa Loa (eye worm)	RecQ helicase	0.002	0.1859	0.1801
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.1859	0.1505
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.3109	0.281
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	0.1859	1
Echinococcus granulosus	dna polymerase kappa	0.0039	0.5313	0.4244
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.5103	0.5068
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.5313	0.528
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.5008	0.9376
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.5008	0.9115
Trypanosoma brucei	unspecified product	0.0027	0.3109	0.281
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.5008	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.3109	0.281
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Loa Loa (eye worm)	hypothetical protein	0.001	0.0071	0.0000000015142
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.5313	0.528
Trypanosoma brucei	unspecified product	0.0027	0.3109	0.281
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.5313	0.511
Trypanosoma cruzi	hypothetical protein, conserved	0.0012	0.0416	0.0348

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.6535 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.3753 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)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	42.5615 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1415869

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1300256