TDR Targets

Basic information

Technical information

TDR Targets ID: 1392994
Name: N,4-dimethyl-N-(2-methyl-1,3-benzothiazol-5-y l)benzenesulfonamide
MW: 332.44 | Formula: C16H16N2O2S2
H donors: 0 H acceptors: 3 LogP: 3.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)nc(s2)C)C
InChi: 1S/C16H16N2O2S2/c1-11-4-7-14(8-5-11)22(19,20)18(3)13-6-9-16-15(10-13)17-12(2)21-16/h4-10H,1-3H3
InChiKey: HPZSZQVTMGNBSD-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

ZINC00248384
Oprea1_061513
MLS000714202
SMR000274182
Oprea1_151974
4,N-Dimethyl-N-(2-methyl-benzothiazol-5-yl)-benzenesulfonamide
BAS 00482299

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	MAP kinase sur-1	0.0059	0.0199	0.0199
Schistosoma mansoni	tyrosine kinase	0.0116	0.0628	0.4835
Echinococcus granulosus	geminin	0.0205	0.1299	0.1388
Brugia malayi	Protein kinase domain	0.0121	0.0665	0.0665
Loa Loa (eye worm)	hypothetical protein	0.006	0.021	0.021
Echinococcus granulosus	cyclin dependent kinase 5	0.0136	0.078	0.0817
Entamoeba histolytica	p21-activated kinase	0.0121	0.0665	0.8101
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0121	0.0665	0.0691
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0116	0.0628	0.0688
Schistosoma mansoni	protein kinase	0.0116	0.0628	0.4835
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0066	0.0066
Brugia malayi	Protein kinase domain containing protein	0.0136	0.078	0.078
Trichomonas vaginalis	CMGC family protein kinase	0.0136	0.078	1
Trichomonas vaginalis	STE family protein kinase	0.0121	0.0665	0.8455
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0059	0.0199	0.0386
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0116	0.0628	0.0628
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.0037	0.0286
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0199	0.2176
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0059	0.0199	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1132	0.1132
Echinococcus multilocularis	PAK box P21 Rho binding	0.0121	0.0665	0.0729
Onchocerca volvulus		0.0182	0.1132	1
Echinococcus multilocularis	serine:threonine protein kinase	0.0048	0.0117	0.0128
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0059	0.0199	0.0199
Schistosoma mansoni	hypothetical protein	0.0205	0.1299	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1299	1
Trichomonas vaginalis	STE family protein kinase	0.0121	0.0665	0.8455
Echinococcus granulosus	serine:threonine protein kinase	0.0048	0.0117	0.0088
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0136	0.078	1
Giardia lamblia	Kinase, CMGC CDK	0.0136	0.078	1
Schistosoma mansoni	serine/threonine kinase	0.0037	0.0037	0.0286
Giardia lamblia	Kinase, STE STE20	0.0121	0.0665	0.8101
Echinococcus granulosus	mitogen activated protein kinase 3	0.0059	0.0199	0.0178
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0059	0.0199	0.0386
Schistosoma mansoni	protein kinase	0.0121	0.0665	0.5121
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.021	0.021
Trichomonas vaginalis	STE family protein kinase	0.0121	0.0665	0.8455
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0121	0.0665	0.0729
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0116	0.0628	0.065
Schistosoma mansoni	serine/threonine protein kinase	0.0116	0.0628	0.4835
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.0037	0.0286
Brugia malayi	hypothetical protein	0.0182	0.1132	0.1132
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0136	0.078	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0136	0.078	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.0117	0.1078
Trichomonas vaginalis	STE family protein kinase	0.0121	0.0665	0.8455
Schistosoma mansoni	serine/threonine protein kinase	0.0136	0.078	0.6004
Giardia lamblia	Kinase, CMGC CDK	0.0136	0.078	1
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0199	0.2176
Entamoeba histolytica	protein kinase, putative	0.0121	0.0665	0.8101
Brugia malayi	cell division control protein 2 homolog	0.0136	0.078	0.078
Giardia lamblia	Kinase, CMGC MAPK	0.0059	0.0199	0.0386
Echinococcus granulosus	cyclin dependent kinase 1	0.0136	0.078	0.0817
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0056	0.0175	0.0175
Schistosoma mansoni	serine/threonine protein kinase	0.0136	0.078	0.6004
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.008	0.0362	0.0396
Echinococcus multilocularis	serine:threonine protein kinase	0.0048	0.0117	0.0128
Schistosoma mansoni	hypothetical protein	0.0116	0.0628	0.4835
Brugia malayi	P21-Rho-binding domain containing protein	0.0116	0.0628	0.0628
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0199	0.2176
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0136	0.078	0.078
Brugia malayi	Protein kinase domain containing protein	0.0048	0.0117	0.0117
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.0199	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0066	0.0066
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.0199	0.0386
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0116	0.0628	0.065
Echinococcus granulosus	cyclin dependent kinase	0.0136	0.078	0.0817
Echinococcus multilocularis	PAK box P21 Rho binding	0.0116	0.0628	0.0688
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.008	0.0362	0.0357
Plasmodium vivax	protein kinase Crk2	0.0136	0.078	1
Echinococcus multilocularis	protein kinase shaggy	0.0056	0.0175	0.0192
Entamoeba histolytica	protein kinase, putative	0.0121	0.0665	0.8101
Trypanosoma cruzi	cdc2-related kinase 1	0.0136	0.078	1
Echinococcus multilocularis	cyclin dependent kinase	0.0136	0.078	0.0855
Schistosoma mansoni	hypothetical protein	0.0116	0.0628	0.4835
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.0121	0.0665	0.0729
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0199	0.153
Echinococcus granulosus	PAK box P21 Rho binding	0.0116	0.0628	0.065
Trichomonas vaginalis	CMGC family protein kinase	0.0136	0.078	1
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0175	0.1862
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.008	0.0362	0.0396
Echinococcus multilocularis	calcium activated potassium channel	0.0037	0.0037	0.0041
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0056	0.0175	0.0175
Trichomonas vaginalis	STE family protein kinase	0.0121	0.0665	0.8455
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.0121	0.0665	0.0729
Schistosoma mansoni	serine/threonine protein kinase	0.008	0.0362	0.2784
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0059	0.0199	0.0218
Entamoeba histolytica	cell division protein kinase 2, putative	0.0136	0.078	1
Echinococcus granulosus	mitogen activated protein kinase	0.0059	0.0199	0.0178
Echinococcus granulosus	serine:threonine protein kinase	0.0048	0.0117	0.0088
Trypanosoma cruzi	cdc2-related kinase 1	0.0136	0.078	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.021	0.021
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.0037	0.0286
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0136	0.078	0.078
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.0121	0.0665	0.0691
Echinococcus multilocularis	geminin	0.0205	0.1299	0.1423
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0037	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.0041	0.0066	0.0508
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.1242	0.9127	1
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.1242	0.9127	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0136	0.078	1
Brugia malayi	WH1 domain containing protein	0.0116	0.0628	0.0628
Brugia malayi	Protein kinase domain containing protein	0.0037	0.0037	0.0037
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.1358	1	1
Schistosoma mansoni	hypothetical protein	0.0116	0.0628	0.4835
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0175	0.1862
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0136	0.078	0.0817
Brugia malayi	intracellular kinase	0.0056	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0117	0.0117
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0199	0.2176
Trypanosoma brucei	cdc2-related kinase 3	0.0136	0.078	1
Schistosoma mansoni	protein kinase	0.0121	0.0665	0.5121
Entamoeba histolytica	hypothetical protein	0.0116	0.0628	0.7487
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0059	0.0199	0.0386
Entamoeba histolytica	hypothetical protein	0.0116	0.0628	0.7487
Echinococcus multilocularis	cyclin dependent kinase 1	0.0136	0.078	0.0855
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0136	0.078	1
Schistosoma mansoni	serine/threonine protein kinase	0.008	0.0362	0.2784
Echinococcus multilocularis	cyclin dependent kinase 1	0.0136	0.078	0.0855
Entamoeba histolytica	protein kinase, putative	0.0121	0.0665	0.8101
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.021	0.021
Trichomonas vaginalis	CMGC family protein kinase	0.0136	0.078	1
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.0121	0.0665	0.0691
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0056	0.0175	0.0152
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.008	0.0362	0.0357
Trypanosoma brucei	cdc2-related kinase 1	0.0136	0.078	1
Entamoeba histolytica	protein kinase, putative	0.0121	0.0665	0.8101
Plasmodium falciparum	protein kinase 5	0.0136	0.078	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0059	0.0199	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0743	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0628	0.0628
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0059	0.0199	0.0386
Trypanosoma brucei	protein kinase, putative	0.0059	0.0199	0.0386
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0116	0.0628	0.4835
Loa Loa (eye worm)	CAMK/CAMKL/MARK protein kinase	0.0048	0.0117	0.0117
Schistosoma mansoni	protein kinase	0.0121	0.0665	0.5121
Echinococcus granulosus	protein kinase shaggy	0.0056	0.0175	0.0152
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0056	0.0175	0.0192
Brugia malayi	P21-Rho-binding domain containing protein	0.0116	0.0628	0.0628
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0059	0.0199	0.0386
Trypanosoma cruzi	cdc2-related kinase 3	0.0136	0.078	1
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0136	0.078	0.078
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0056	0.0175	0.135
Trichomonas vaginalis	conserved hypothetical protein	0.0116	0.0628	0.7955
Echinococcus multilocularis	cyclin dependent kinase 5	0.0136	0.078	0.0855

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.5119 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.2 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)	10.4179 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)	11.2202 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 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

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: CHEMBL1528356

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1392994