TDR Targets

Basic information

Technical information

TDR Targets ID: 1394573
Name: 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl] benzenesulfonamide
MW: 348.804 | Formula: C16H13ClN2O3S
H donors: 1 H acceptors: 3 LogP: 3.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1S(=O)(=O)NCc1onc(c1)c1ccccc1
InChi: 1S/C16H13ClN2O3S/c17-14-8-4-5-9-16(14)23(20,21)18-11-13-10-15(19-22-13)12-6-2-1-3-7-12/h1-10,18H,11H2
InChiKey: PBFPJQNEMSEPDB-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-chloro-N-[(3-phenylisoxazol-5-yl)methyl]benzenesulfonamide
2-chloro-N-[(3-phenyl-5-isoxazolyl)methyl]benzenesulfonamide
MLS000755160
SMR000338037
7M-320S
ZINC01398134

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
Trichomonas vaginalis	STE family protein kinase	0.0119	0.0556	0.7236
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0055	0.0059	0.0064
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.0517	0.6465
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0059	0.0763
Entamoeba histolytica	hypothetical protein	0.0114	0.0517	0.6465
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0058	0.0082	0.0331
Trichomonas vaginalis	STE family protein kinase	0.0119	0.0556	0.7236
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0517	0.6734
Echinococcus granulosus	cyclin dependent kinase 1	0.0147	0.0768	0.0843
Schistosoma mansoni	tyrosine kinase	0.0114	0.0517	0.6465
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0119	0.0556	0.061
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0079	0.0246	0.027
Trypanosoma brucei	protein kinase, putative	0.0058	0.0082	0.0331
Entamoeba histolytica	protein kinase, putative	0.0119	0.0556	0.7008
Echinococcus granulosus	cyclin dependent kinase 5	0.0147	0.0768	0.0843
Schistosoma mansoni	protein kinase	0.0119	0.0556	0.7008
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0055	0.0059	0.0064
Trypanosoma brucei	cdc2-related kinase 3	0.0147	0.0768	1
Schistosoma mansoni	serine/threonine protein kinase	0.0079	0.0246	0.2644
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0058	0.0082	0.0331
Echinococcus multilocularis	mitogen activated protein kinase	0.0058	0.0082	0.009
Schistosoma mansoni	protein kinase	0.0119	0.0556	0.7008
Trypanosoma brucei	cdc2-related kinase 1	0.0147	0.0768	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0058	0.0082	0.0082
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0114	0.0517	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0142	0.073	0.073
Trichomonas vaginalis	CMGC family protein kinase	0.0147	0.0768	1
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.0768	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0147	0.0768	0.0768
Brugia malayi	cell division control protein 2 homolog	0.0147	0.0768	0.0768
Schistosoma mansoni	hypothetical protein	0.0114	0.0517	0.6465
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0114	0.0517	0.0567
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0079	0.0246	0.027
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.134	1	1
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0119	0.0556	0.061
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.1226	0.9117	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0147	0.0768	0.0843
Plasmodium vivax	protein kinase Crk2	0.0147	0.0768	1
Schistosoma mansoni	serine/threonine protein kinase	0.0058	0.0082	0.0331
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.1226	0.9117	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0147	0.0768	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0147	0.0768	0.0843
Trichomonas vaginalis	CMGC family protein kinase	0.0147	0.0768	1
Onchocerca volvulus		0.0055	0.0059	0.5
Brugia malayi	Protein kinase domain	0.0119	0.0556	0.0556
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0119	0.0556	0.061
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0058	0.0082	0.0331
Echinococcus multilocularis	cyclin dependent kinase 5	0.0147	0.0768	0.0843
Entamoeba histolytica	protein kinase, putative	0.0119	0.0556	0.7008
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0082	0.1069
Entamoeba histolytica	cell division protein kinase 2, putative	0.0147	0.0768	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0147	0.0768	0.0768
Echinococcus granulosus	mitogen activated protein kinase 3	0.0058	0.0082	0.009
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0147	0.0768	1
Brugia malayi	intracellular kinase	0.0055	0.0059	0.0059
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0058	0.0082	0.0331
Trichomonas vaginalis	CMGC family protein kinase	0.0147	0.0768	1
Entamoeba histolytica	protein kinase, putative	0.0119	0.0556	0.7008
Trichomonas vaginalis	STE family protein kinase	0.0119	0.0556	0.7236
Echinococcus granulosus	cyclin dependent kinase	0.0147	0.0768	0.0843
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0055	0.0059	0.0059
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0119	0.0556	0.061
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0517	0.0517
Trypanosoma cruzi	cdc2-related kinase 1	0.0147	0.0768	1
Giardia lamblia	Kinase, CMGC CDK	0.0147	0.0768	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0058	0.0082	0.0331
Trypanosoma cruzi	cdc2-related kinase 3	0.0147	0.0768	1
Echinococcus multilocularis	cyclin dependent kinase	0.0147	0.0768	0.0843
Entamoeba histolytica	cell division protein kinase 2, putative	0.0147	0.0768	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0058	0.0082	0.009
Entamoeba histolytica	protein kinase, putative	0.0119	0.0556	0.7008
Trypanosoma cruzi	cdc2-related kinase 1	0.0147	0.0768	1
Echinococcus multilocularis	PAK box P21 Rho binding	0.0114	0.0517	0.0567
Plasmodium falciparum	protein kinase 5	0.0147	0.0768	1
Brugia malayi	WH1 domain containing protein	0.0114	0.0517	0.0517
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0147	0.0768	0.0768
Giardia lamblia	Kinase, CMGC MAPK	0.0058	0.0082	0.0331
Schistosoma mansoni	protein kinase	0.0119	0.0556	0.7008
Giardia lamblia	Kinase, STE STE20	0.0119	0.0556	0.7008
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0119	0.0556	0.061
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0114	0.0517	0.0517
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.0059	0.0763
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0058	0.0082	0.0331
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0079	0.0246	0.027
Schistosoma mansoni	serine/threonine protein kinase	0.0079	0.0246	0.2644
Brugia malayi	P21-Rho-binding domain containing protein	0.0114	0.0517	0.0517
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0058	0.0082	0.0331
Trichomonas vaginalis	STE family protein kinase	0.0119	0.0556	0.7236
Echinococcus multilocularis	cyclin dependent kinase 1	0.0147	0.0768	0.0843
Schistosoma mansoni	protein kinase	0.0114	0.0517	0.6465
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0147	0.0768	1
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0114	0.0517	0.0567
Brugia malayi	MAP kinase sur-1	0.0058	0.0082	0.0082
Schistosoma mansoni	serine/threonine protein kinase	0.0147	0.0768	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0147	0.0768	1
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0082	0.1069
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0079	0.0246	0.027
Brugia malayi	Protein kinase domain containing protein	0.0147	0.0768	0.0768
Echinococcus multilocularis	protein kinase shaggy	0.0055	0.0059	0.0064
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0114	0.0517	0.6465
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0082	0.1069
Schistosoma mansoni	hypothetical protein	0.0114	0.0517	0.6465
Brugia malayi	P21-Rho-binding domain containing protein	0.0114	0.0517	0.0517
Entamoeba histolytica	hypothetical protein	0.0114	0.0517	0.6465
Entamoeba histolytica	p21-activated kinase	0.0119	0.0556	0.7008
Echinococcus granulosus	mitogen activated protein kinase	0.0058	0.0082	0.009
Trichomonas vaginalis	CMGC family protein kinase	0.0058	0.0082	0.1069
Trichomonas vaginalis	STE family protein kinase	0.0119	0.0556	0.7236
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0119	0.0556	0.061
Giardia lamblia	Kinase, CMGC CDK	0.0147	0.0768	1
Echinococcus multilocularis	PAK box P21 Rho binding	0.0119	0.0556	0.061
Echinococcus granulosus	protein kinase shaggy	0.0055	0.0059	0.0064
Echinococcus granulosus	PAK box P21 Rho binding	0.0114	0.0517	0.0567
Schistosoma mansoni	hypothetical protein	0.0114	0.0517	0.6465
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0055	0.0059	0.0059
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0058	0.0082	0.0331

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 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)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 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)	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

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: CHEMBL1529793

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1394573