TDR Targets

Basic information

Technical information

TDR Targets ID: 1456929
Name: 3-methyl-N-[2-(4-methyl-2-phenyl-1,3-thiazol- 5-yl)ethyl]benzamide
MW: 336.451 | Formula: C20H20N2OS
H donors: 1 H acceptors: 2 LogP: 4.65 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)C(=O)NCCc1sc(nc1C)c1ccccc1
InChi: 1S/C20H20N2OS/c1-14-7-6-10-17(13-14)19(23)21-12-11-18-15(2)22-20(24-18)16-8-4-3-5-9-16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChiKey: CYTVYXUXLNMCMU-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

3-methyl-N-[2-(4-methyl-2-phenyl-thiazol-5-yl)ethyl]benzamide
3-methyl-N-[2-(4-methyl-2-phenyl-5-thiazolyl)ethyl]benzamide
G856-2860
NCGC00135819-01
ZINC04392457

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723

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
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.5855	0.8901
Echinococcus granulosus	lamin dm0	0.0033	0.0903	0.1542
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0202	1	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0093	0.0093
Schistosoma mansoni	hypothetical protein	0.0138	0.657	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0903	0.0903
Echinococcus multilocularis	lamin dm0	0.0033	0.0903	0.1542
Onchocerca volvulus		0.0033	0.0903	0.5
Schistosoma mansoni	hypothetical protein	0.0064	0.2589	0.3881
Brugia malayi	intermediate filament protein	0.0033	0.0903	0.0845
Schistosoma mansoni	hypothetical protein	0.0064	0.2589	0.3881
Brugia malayi	MH2 domain containing protein	0.0119	0.5514	0.5485
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.5855	0.5855
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0063	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.2589	0.4421
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.5855	0.8901
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.5855	0.8901
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.2589	0.2542
Echinococcus granulosus	lamin	0.0033	0.0903	0.1542
Schistosoma mansoni	hypothetical protein	0.0023	0.039	0.0502
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.5855	1
Echinococcus multilocularis	lamin	0.0033	0.0903	0.1542
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0903	0.0903
Schistosoma mansoni	lamin	0.0033	0.0903	0.129
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.1904	1
Schistosoma mansoni	hypothetical protein	0.0064	0.2589	0.3881
Brugia malayi	latrophilin 2 splice variant baaae	0.0138	0.657	0.6548
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.5855	0.8901
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.2589	0.4421
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1904	1
Brugia malayi	RNA binding protein	0.0125	0.5855	0.5828
Echinococcus multilocularis	GPCR, family 2	0.0064	0.2589	0.4421
Echinococcus granulosus	GPCR family 2	0.0064	0.2589	0.4421
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.2589	0.4421
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1904	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.0903	0.1542
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0063	0.0108
Onchocerca volvulus		0.0033	0.0903	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0063	0.0108
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0063	0.0063
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0063	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0202	1	1
Loa Loa (eye worm)	RNA binding protein	0.0125	0.5855	0.5855
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.5514	0.5514
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1904	1
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.5855	0.5828
Echinococcus granulosus	tar DNA binding protein	0.0125	0.5855	1
Brugia malayi	TAR-binding protein	0.0125	0.5855	0.5828
Loa Loa (eye worm)	hypothetical protein	0.0138	0.657	0.657
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.1904	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.2589	0.2589
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0063	0.0108
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.1904	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.039	0.0665
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0063	0.0108
Leishmania major	hypothetical protein, conserved	0.0051	0.1904	1
Schistosoma mansoni	hypothetical protein	0.0064	0.2589	0.3881
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.039	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0871	0.0871
Schistosoma mansoni	lamin	0.0033	0.0903	0.129
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0063	0.0108
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.5855	0.8901
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.2589	0.2589
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0903	0.0903
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0903	0.129
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.2589	0.2542
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1904	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0093	0.003
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.5514	0.5514
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0202	1	1
Echinococcus multilocularis	musashi	0.0033	0.0903	0.1542
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.5855	0.5855
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0903	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1904	0.1904
Brugia malayi	hypothetical protein	0.0033	0.0931	0.0873
Brugia malayi	hypothetical protein	0.0051	0.1904	0.1853
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.2589	0.4421

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	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: CHEMBL1612896

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 1456929