TDR Targets

Basic information

Technical information

TDR Targets ID: 1385066
Name: N'-(2,4-difluorophenyl)-N-[(1-thiophen-2-ylsu lfonylpyrrolidin-2-yl)methyl]oxamide
MW: 429.461 | Formula: C17H17F2N3O4S2
H donors: 2 H acceptors: 4 LogP: 2.42 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)F)NC(=O)C(=O)NCC1CCCN1S(=O)(=O)c1cccs1
InChi: 1S/C17H17F2N3O4S2/c18-11-5-6-14(13(19)9-11)21-17(24)16(23)20-10-12-3-1-7-22(12)28(25,26)15-4-2-8-27-15/h2,4-6,8-9,12H,1,3,7,10H2,(H,20,23)(H,21,24)
InChiKey: ATQLZFJZFVZOKR-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'-(2,4-difluorophenyl)-N-[[1-(2-thienylsulfonyl)pyrrolidin-2-yl]methyl]oxamide
N'-(2,4-difluorophenyl)-N-[[1-(2-thienylsulfonyl)-2-pyrrolidinyl]methyl]oxamide
N'-(2,4-difluorophenyl)-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]ethanediamide

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
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0731	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.043	0.043
Toxoplasma gondii	ABC1 family protein	0.0035	0.0286	0.6076
Echinococcus granulosus	RUN	0.0019	0.0044	0.0044
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0298	0.0298
Echinococcus granulosus	geminin	0.0169	0.2328	0.2328
Brugia malayi	hypothetical protein	0.0019	0.0044	0.0119
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.2467	0.6706
Brugia malayi	beta-lactamase family protein	0.0035	0.0286	0.0776
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Mycobacterium ulcerans	lipase LipD	0.0035	0.0286	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0731	1
Schistosoma mansoni	lipoxygenase	0.0019	0.0044	0.0044
Brugia malayi	Doublecortin family protein	0.0019	0.0044	0.0119
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0044	0.0044
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0286	0.3905
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0286	0.0902
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0151	0.0151
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0286	0.3905
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0258	0.3678	1
Schistosoma mansoni	microtubule-associated protein tau	0.0673	1	1
Brugia malayi	hypothetical protein	0.0019	0.0044	0.0119
Echinococcus multilocularis	smoothened	0.0346	0.5027	0.5027
Trypanosoma brucei	trypanothione reductase	0.0047	0.047	0.6427
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0044	0.0929
Echinococcus granulosus	Desert hedgehog protein	0.0191	0.2661	0.2661
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0286	0.0902
Brugia malayi	beta-lactamase	0.0035	0.0286	0.0776
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0286	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0258	0.3678	0.7457
Trichomonas vaginalis	esterase, putative	0.0035	0.0286	0.0776
Plasmodium falciparum	thioredoxin reductase	0.0047	0.047	1
Mycobacterium tuberculosis	Probable reductase	0.0108	0.1391	0.4393
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0731	1
Loa Loa (eye worm)	hypothetical protein	0.0339	0.4918	1
Brugia malayi	hypothetical protein	0.0036	0.0298	0.081
Echinococcus granulosus	smoothened	0.0346	0.5027	0.5027
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.012	0.1574	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0298	0.0298
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0731	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0541	0.1021
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0044	0.0044
Schistosoma mansoni	hypothetical protein	0.0139	0.187	0.187
Schistosoma mansoni	rab6-interacting	0.0019	0.0044	0.0044
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0298	0.0298
Onchocerca volvulus	Glucosylceramidase homolog	0.0169	0.2328	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0286	0.3905
Treponema pallidum	NADH oxidase	0.0016	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.043	0.043
Leishmania major	hypothetical protein, conserved	0.0035	0.0286	0.3905
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0286	0.0286
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.043	0.043
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0731	0.0731
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0286	0.0776
Leishmania major	trypanothione reductase	0.0047	0.047	0.6427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.043	0.043
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0286	0.0286
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0044	0.0929
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.012	0.1574	0.4971
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0286	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0286	0.6076
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0044	0.0044
Echinococcus granulosus	intermediate filament protein	0.0026	0.0151	0.0151
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0286	0.0902
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0286	0.0776
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Plasmodium falciparum	glutathione reductase	0.0047	0.047	1
Loa Loa (eye worm)	glutathione reductase	0.0047	0.047	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0541	0.1021
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0286	0.0776
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.047	0.047
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0731	0.1988
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.047	1
Schistosoma mansoni	loxhd1	0.0019	0.0044	0.0044
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0731	0.1411
Echinococcus granulosus	lamin dm0	0.0026	0.0151	0.0151
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.047	0.1484
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0108	0.1391	0.4393
Toxoplasma gondii	thioredoxin reductase	0.0047	0.047	1
Onchocerca volvulus		0.0026	0.0151	0.0471
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0108	0.1391	0.4393
Schistosoma mansoni	hypothetical protein	0.0169	0.2328	0.2328
Brugia malayi	Hint module family protein	0.0052	0.0541	0.1471
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0044	0.0044
Echinococcus multilocularis	microtubule associated protein 2	0.0673	1	1
Brugia malayi	intermediate filament protein	0.0026	0.0151	0.0411
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.047	0.047
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0108	0.1391	0.4393
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0286	0.0902
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.043	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0044	0.0044
Schistosoma mansoni	lamin	0.0026	0.0151	0.0151
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0731	0.0731
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0151	0.0221
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.2467	0.6706
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0286	0.0496
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0286	0.0902
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0571	0.0571
Brugia malayi	glutathione reductase	0.0047	0.047	0.1278
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0731	0.0731
Mycobacterium tuberculosis	Probable oxidoreductase	0.012	0.1574	0.4971
Schistosoma mansoni	lamin	0.0026	0.0151	0.0151
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.043	0.043
Echinococcus multilocularis	lamin dm0	0.0026	0.0151	0.0151
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0286	0.0902
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.047	0.6427
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0144	0.0206
Schistosoma mansoni	lipoxygenase	0.0054	0.0571	0.0571
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0286	0.0902
Schistosoma mansoni	hypothetical protein	0.0169	0.2328	0.2328
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0044	0.0044
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0286	0.0776
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0731	1
Echinococcus multilocularis	hedgehog	0.0191	0.2661	0.2661
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0286	0.0902
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0	0.5
Echinococcus multilocularis	RUN	0.0019	0.0044	0.0044
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0108	0.1391	0.858
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.043	0.043
Onchocerca volvulus		0.0026	0.0151	0.0471
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0286	0.0496
Plasmodium vivax	glutathione reductase, putative	0.0047	0.047	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0151	0.0411
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0286	0.0776
Onchocerca volvulus		0.0035	0.0286	0.1059
Echinococcus multilocularis	lamin	0.0026	0.0151	0.0151
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0151	0.0221
Brugia malayi	Hint module family protein	0.0052	0.0541	0.1471
Brugia malayi	Thioredoxin reductase	0.0047	0.047	0.1278
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.3167	1
Onchocerca volvulus		0.0035	0.0286	0.1059
Echinococcus multilocularis	geminin	0.0169	0.2328	0.2328
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0286	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0286	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.012	0.1574	0.4971
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.047	0.0875
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.043	0.1169
Schistosoma mansoni	hypothetical protein	0.0036	0.0298	0.0298
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0318	0.0318
Schistosoma mansoni	polycystin 1-related	0.0019	0.0044	0.0044
Mycobacterium tuberculosis	Probable dehydrogenase	0.0108	0.1391	0.4393
Onchocerca volvulus		0.0035	0.0286	0.1059
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0286	0.0776
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0286	0.0902
Trichomonas vaginalis	glucosylceramidase, putative	0.0258	0.3678	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0286	0.0496
Brugia malayi	beta-lactamase family protein	0.0035	0.0286	0.0776
Schistosoma mansoni	hypothetical protein	0.0019	0.0044	0.0044
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0286	0.0286
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0318	0.0318
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0571	0.0571
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.043	0.043
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.2328	0.6328
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0151	0.0221
Schistosoma mansoni	rab6-interacting	0.0019	0.0044	0.0044
Echinococcus granulosus	lamin	0.0026	0.0151	0.0151
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0286	0.0286
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0108	0.1391	0.4393
Echinococcus multilocularis	musashi	0.0026	0.0151	0.0151
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0286	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1535624

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 1385066