TDR Targets

Basic information

Technical information

TDR Targets ID: 1286038
Name: 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]- N-(pyridin-2-ylmethyl)acetamide
MW: 388.269 | Formula: C15H15Cl2N3O3S
H donors: 1 H acceptors: 4 LogP: 2.13 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(S(=O)(=O)c1cc(Cl)ccc1Cl)C)NCc1ccccn1
InChi: 1S/C15H15Cl2N3O3S/c1-20(10-15(21)19-9-12-4-2-3-7-18-12)24(22,23)14-8-11(16)5-6-13(14)17/h2-8H,9-10H2,1H3,(H,19,21)
InChiKey: JQXLEDSNLUQNGL-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

2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-N-(2-pyridylmethyl)acetamide
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-pyridylmethyl)acetamide
2-[(2,5-dichlorophenyl)sulfonyl-methyl-amino]-N-(pyridin-2-ylmethyl)ethanamide
2-[(2,5-Dichloro-benzenesulfonyl)-methyl-amino]-N-pyridin-2-ylmethyl-acetamide
BAS 05985659
ZINC00796938
STK321081

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Echinococcus granulosus	SWI:SNF matrix associated	0.006	0.0886	0.0886
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0511	0.1531
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.006	0.0886	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0021	0.0025	0.0025
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0103	0.1816	0.1816
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.6081	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0511	0.1531
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0511	0.1531
Loa Loa (eye worm)	hypothetical protein	0.017	0.3303	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.006	0.0886	0.0886
Mycobacterium ulcerans	lipase LipD	0.0043	0.0511	0.1531
Echinococcus multilocularis	SWI:SNF matrix associated	0.006	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0077
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0469	0.0732
Echinococcus multilocularis	muscleblind protein	0.017	0.3303	0.3303
Schistosoma mansoni	hypothetical protein	0.006	0.0886	0.2755
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0021	0.0025	0.0077
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0511	0.1548
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0511	0.0797
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0469	0.0732
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0103	0.1816	0.5651
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0469	0.0732
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.006	0.0886	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0511	0.0797
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.0886	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.006	0.0886	0.2682
Onchocerca volvulus		0.0021	0.0025	0.0287
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0511	0.0797
Schistosoma mansoni	TRABID protein (C64 family)	0.0021	0.0025	0.0079
Leishmania major	hypothetical protein, conserved	0.0043	0.0511	0.0802
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0511	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0103	0.1816	0.1816
Onchocerca volvulus		0.0021	0.0025	0.0287
Schistosoma mansoni	hypothetical protein	0.0037	0.0363	0.1131
Schistosoma mansoni	hypothetical protein	0.0166	0.3214	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.006	0.0886	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0063	0.0062
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0021	0.0025	0.0077
Echinococcus multilocularis	ring and YY1 binding protein	0.0021	0.0025	0.0025
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0511	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.5689	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0021	0.0025	0.0025
Loa Loa (eye worm)	brahma associated protein	0.006	0.0886	0.2682
Schistosoma mansoni	brg-1 associated factor	0.006	0.0886	0.2755
Onchocerca volvulus		0.0021	0.0025	0.0287
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0511	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0077
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0511	0.0511
Chlamydia trachomatis	SWIB complex protein	0.006	0.0886	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0063	0.0062
Schistosoma mansoni	RNA binding protein	0.0021	0.0025	0.0079
Entamoeba histolytica	hypothetical protein	0.0037	0.0363	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0063	0.0191
Echinococcus multilocularis	geminin	0.0166	0.3214	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0077
Brugia malayi	brahma associated protein 60 kDa	0.006	0.0886	0.2682
Brugia malayi	hypothetical protein	0.0037	0.0363	0.1101
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.2641	0.432
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0511	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0077
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0511	0.1591
Onchocerca volvulus		0.006	0.0886	1
Echinococcus multilocularis	FTZ F1 alpha	0.0103	0.1816	0.1816
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0363	0.1131
Onchocerca volvulus		0.0043	0.0511	0.5773
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.006	0.0886	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1816	0.55
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0025	0.0077
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0511	0.1548
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.006	0.0886	0.0886
Schistosoma mansoni	fusion	0.0021	0.0025	0.0079
Echinococcus multilocularis	muscleblind protein 1	0.017	0.3303	0.3303
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.006	0.0886	0.2682
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Entamoeba histolytica	hypothetical protein	0.0037	0.0363	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0063	0.0062
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0511	0.0802
Mycobacterium ulcerans	hypothetical protein	0.0156	0.299	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0511	0.1548
Onchocerca volvulus		0.0043	0.0511	0.5773
Schistosoma mansoni	hypothetical protein	0.0021	0.0025	0.0079
Brugia malayi	Muscleblind-like protein	0.017	0.3303	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0511	0.1531
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0156	0.299	0.5203
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.006	0.0886	1
Onchocerca volvulus		0.0023	0.0063	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Brugia malayi	beta-lactamase family protein	0.0043	0.0511	0.1548
Brugia malayi	brahma associated protein 60 kDa	0.006	0.0886	0.2682
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0511	0.1548
Onchocerca volvulus		0.0021	0.0025	0.0287
Echinococcus multilocularis	SWI:SNF matrix associated	0.006	0.0886	0.0886
Toxoplasma gondii	ABC1 family protein	0.0043	0.0511	0.5649
Echinococcus granulosus	geminin	0.0166	0.3214	0.3214
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0063	0.0191
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.006	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0063	0.0191
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.6081	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0063	0.0191
Brugia malayi	beta-lactamase	0.0043	0.0511	0.1548
Chlamydia trachomatis	DNA topoisomerase I	0.006	0.0886	0.5
Onchocerca volvulus		0.0043	0.0511	0.5773
Plasmodium vivax	hypothetical protein, conserved	0.006	0.0886	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0511	0.0797
Echinococcus granulosus	ring and YY1 binding protein	0.0021	0.0025	0.0025
Echinococcus granulosus	Zinc finger RanBP2 type	0.0021	0.0025	0.0025
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0021	0.0025	0.0287
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0511	0.0802
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.067	0.1064
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.6081	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0063	0.0191
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0063	0.0191
Brugia malayi	beta-lactamase family protein	0.0043	0.0511	0.1548
Echinococcus granulosus	FTZ F1 alpha	0.0407	0.8553	0.8553
Brugia malayi	YY1-associated factor 2	0.0021	0.0025	0.0077
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0511	0.0797
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0021	0.0025	0.0025
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.2641	0.432
Entamoeba histolytica	hypothetical protein	0.0037	0.0363	1
Schistosoma mansoni	hypothetical protein	0.0166	0.3214	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.3303	1
Schistosoma mansoni	hypothetical protein	0.006	0.0886	0.2755
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0511	0.0797
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0511	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0511	0.0511
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0021	0.0025	0.0025
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0363	0.0363
Echinococcus granulosus	muscleblind protein	0.017	0.3303	0.3303
Schistosoma mansoni	hypothetical protein	0.006	0.0886	0.2755
Schistosoma mansoni	hypothetical protein	0.0082	0.1367	0.4252
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0103	0.1816	0.55
Toxoplasma gondii	hypothetical protein	0.0048	0.0604	0.6723
Echinococcus granulosus	zinc finger protein Ran binding	0.0021	0.0025	0.0025
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0363	0.0363
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0021	0.0025	0.0077
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.2641	0.432
Schistosoma mansoni	zinc finger protein	0.0021	0.0025	0.0079
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0469	0.0732
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0511	0.0797
Entamoeba histolytica	hypothetical protein	0.0037	0.0363	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.6081	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0511	0.0797
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0103	0.1816	0.55
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0021	0.0025	0.0077
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0511	0.0797

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0657 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)	= 3.5481 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
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1394180

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 1286038