TDR Targets

Basic information

Technical information

TDR Targets ID: 1515685
Name: N-(4-dimethylaminophenyl)-2-methyl-1,3-benzot hiazole-6-carboxamide
MW: 311.401 | Formula: C17H17N3OS
H donors: 1 H acceptors: 2 LogP: 3.74 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1sc2c(n1)ccc(c2)C(=O)Nc1ccc(cc1)N(C)C
InChi: 1S/C17H17N3OS/c1-11-18-15-9-4-12(10-16(15)22-11)17(21)19-13-5-7-14(8-6-13)20(2)3/h4-10H,1-3H3,(H,19,21)
InChiKey: YJNHWKDFESFVOT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

AH-487/42194580
ZINC00479764
MLS001178956
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMR000476394

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	thioredoxin glutathione reductase	0.0043	0.0145	0.0145
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0237	0.2193
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0276	0.3285	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.016	0.1724	0.5886
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0017	0.0017
Mycobacterium tuberculosis	Probable reductase	0.0097	0.087	0.2718
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.0591	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0597	0.0581
Brugia malayi	RNA binding protein	0.0076	0.0597	0.1775
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0097	0.087	0.2718
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.0237	0.0675
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.005	0.0237	0.0675
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Brugia malayi	hypothetical protein	0.0043	0.0151	0.0411
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0597	0.0581
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.0591	0.0575
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0108	0.1016	0.3258
Loa Loa (eye worm)	glutathione reductase	0.0042	0.0137	0.0369
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0076	0.0591	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0076	0.0591	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0151	0.0135
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	0.0944
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0076	0.0591	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0597	0.1775
Mycobacterium ulcerans	L-lysine aminotransferase	0.0242	0.2833	1
Brugia malayi	Pre-SET motif family protein	0.0233	0.2712	0.8247
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0328	0.3985	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	0.0944
Plasmodium vivax	glutathione reductase, putative	0.0042	0.0137	0.21
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0233	0.2712	0.8247
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0597	0.0581
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0108	0.1016	0.1705
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0242	0.2833	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.0591	0.1148
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.0591	0.1148
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0597	0.0581
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.0591	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0597	0.0581
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.0591	0.1148
Loa Loa (eye worm)	thioredoxin reductase	0.0042	0.0137	0.0369
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0076	0.0591	0.1757
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.0591	0.0591
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Brugia malayi	TAR-binding protein	0.0076	0.0597	0.1775
Loa Loa (eye worm)	hypothetical protein	0.005	0.0237	0.0675
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0076	0.0591	0.0945
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0076	0.0591	0.5
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.0591	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	1
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0276	0.3285	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	0.0944
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0237	0.2193
Schistosoma mansoni	hypothetical protein	0.0043	0.0151	0.0135
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.016	0.1724	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Onchocerca volvulus		0.0266	0.3147	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.0591	0.0575
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0151	0.0151
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0076	0.0591	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	0.0944
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0597	0.1775
Brugia malayi	Thioredoxin reductase	0.0042	0.0137	0.0369
Mycobacterium tuberculosis	Probable dehydrogenase	0.0097	0.087	0.2718
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0597	0.0581
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0597	0.1775
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.0591	0.0575
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0597	0.0597
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.0591	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.0237	0.0237
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0242	0.2833	0.8617
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.005	0.0237	0.2193
Trichomonas vaginalis	set domain proteins, putative	0.0266	0.3147	0.7765
Toxoplasma gondii	thioredoxin reductase	0.0042	0.0137	0.21
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.0591	0.0575
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0108	0.1016	0.3258
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0328	0.3985	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0151	0.0135
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.0591	0.0591
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0076	0.0591	1
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0053	0.0273	0.0785
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0097	0.087	0.2718
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0076	0.0591	0.5
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.005	0.0237	0.0221
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	0.0944
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0076	0.0591	0.0575
Plasmodium vivax	thioredoxin reductase, putative	0.0042	0.0137	0.21
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.005	0.0237	0.2193
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0097	0.087	0.2718
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.016	0.1724	0.5054
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0097	0.087	0.2718
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0053	0.0273	0.0785
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0597	0.1775
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.0591	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0076	0.0591	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0076	0.0591	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0076	0.0591	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0328	0.3985	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0328	0.3985	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.1016	0.3258
Loa Loa (eye worm)	hypothetical protein	0.0276	0.3285	1
Brugia malayi	glutathione reductase	0.0042	0.0137	0.0369
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0076	0.0591	0.0575
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0043	0.0145	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0276	0.3285	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0328	0.3985	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	39.26 uM	PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.3109 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	3.9811 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)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	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
Homo sapiens	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: CHEMBL1710012

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 1515685