TDR Targets

Basic information

Technical information

TDR Targets ID: 235498
Name: 2-[[2-methyl-3-(2-methylpropoxy)phenyl]methox y]-1,3-benzothiazole
MW: 327.441 | Formula: C19H21NO2S
H donors: 0 H acceptors: 1 LogP: 5.84 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(COc1cccc(c1C)COc1nc2c(s1)cccc2)C
InChi: 1S/C19H21NO2S/c1-13(2)11-21-17-9-6-7-15(14(17)3)12-22-19-20-16-8-4-5-10-18(16)23-19/h4-10,13H,11-12H2,1-3H3
InChiKey: GMHZKWSPBZNCDM-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-[(3-isobutoxy-2-methyl-phenyl)methoxy]-1,3-benzothiazole
2-[(3-isobutoxy-2-methylphenyl)methoxy]-1,3-benzothiazole
2-(3-isobutoxy-2-methyl-benzyl)oxy-1,3-benzothiazole

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
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0076	0.2895	0.4099
Schistosoma mansoni	DNA helicase recq5	0.002	0.0554	0.0785
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.0132	0.5
Brugia malayi	intermediate filament protein	0.0028	0.0865	0.0989
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0119	0.4716	1
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0119	0.4716	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0554	0.1175
Loa Loa (eye worm)	hypothetical protein	0.002	0.0554	0.0634
Echinococcus multilocularis	lamin	0.0028	0.0865	0.1225
Brugia malayi	Death domain containing protein	0.0015	0.0317	0.0363
Onchocerca volvulus		0.0031	0.0991	0.0695
Echinococcus granulosus	Ankyrin	0.0015	0.0323	0.0457
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0258	0.0366
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.2187	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.8744	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.0991	0.1133
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	0.4409
Echinococcus multilocularis	ankyrin repeat protein	0.0164	0.6606	0.9355
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0554	0.1175
Brugia malayi	protein-S isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	0.5394
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0554	0.1175
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0076	0.2895	0.4099
Brugia malayi	Pre-SET motif family protein	0.0215	0.8744	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.2187	0.3097
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0317	0.0363
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.2187	0.3097
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0554	0.0634
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.2187	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.2187	0.3097
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0115	0.0163
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.083	0.0949
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.0554	0.0785
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.0119	0.4716	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0991	0.1403
Brugia malayi	Uncoordinated protein 44	0.0015	0.0317	0.0363
Echinococcus multilocularis	Ankyrin	0.0015	0.0323	0.0457
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	0.4409
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0317	0.0363
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0844	0.0965
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.0554	0.0634
Echinococcus granulosus	intermediate filament protein	0.0028	0.0865	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0865	0.0989
Schistosoma mansoni	lamin	0.0028	0.0865	0.1225
Echinococcus multilocularis	geminin	0.0175	0.7062	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0865	0.0989
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0132	0.0186
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	0.4409
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0991	0.1403
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0119	0.4716	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0554	0.0634
Echinococcus multilocularis	netrin receptor unc 5	0.0015	0.0317	0.045
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0865	0.0989
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	1
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.0317	0.045
Echinococcus multilocularis	bloom syndrome protein	0.002	0.0554	0.0785
Brugia malayi	Cytochrome P450 family protein	0.0027	0.083	0.0949
Schistosoma mansoni	hypothetical protein	0.0175	0.7062	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0991	0.1403
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.2187	0.4637
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.032	0.0367
Echinococcus multilocularis		0.0119	0.4716	0.6678
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.2019	0.2309
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0132	0.0036
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0991	0.21
Echinococcus multilocularis	musashi	0.0028	0.0865	0.1225
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.0554	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0991	0.1133
Loa Loa (eye worm)	hypothetical protein	0.001	0.0132	0.015
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.0119	0.4716	0.6678
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.0119	0.4716	1
Onchocerca volvulus		0.0028	0.0865	0.0566
Loa Loa (eye worm)	hypothetical protein	0.001	0.0132	0.015
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.0317	0.045
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.0554	0.0785
Echinococcus granulosus	death domain containing protein	0.0015	0.0317	0.045
Onchocerca volvulus		0.0028	0.0865	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0323	0.0369
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.0554	0.0785
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0132	0.0279
Echinococcus multilocularis	transient receptor potential cation channel	0.0168	0.6752	0.9561
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0115	0.0243
Echinococcus granulosus	ankyrin repeat protein	0.0164	0.6606	0.9355
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0317	0.0363
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0991	0.1403
Echinococcus granulosus	lamin	0.0028	0.0865	0.1225
Schistosoma mansoni	lamin	0.0028	0.0865	0.1225
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0164	0.6606	0.9355
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.2187	1
Echinococcus granulosus	netrin receptor unc 5	0.0015	0.0317	0.045
Echinococcus granulosus	lamin dm0	0.0028	0.0865	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0237	0.0271
Entamoeba histolytica	recQ family helicase, putative	0.002	0.0554	0.0955
Echinococcus granulosus	transient receptor potential cation channel	0.0168	0.6747	0.9554
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0119	0.4716	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0943	0.1335
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0132	0.0036
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0015	0.0317	0.0363
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0991	0.1403
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.0132	0.0279
Mycobacterium leprae	putative cytochrome p450	0.0007	0	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0317	0.045
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0323	0.0457
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0052	0.1886	0.8621
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0119	0.4716	1
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.0119	0.4716	1
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.0119	0.4716	0.5394
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.0554	0.0634
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0991	0.1403
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0554	0.1175
Loa Loa (eye worm)	RecQ helicase	0.002	0.0554	0.0634
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.0119	0.4716	0.6678
Plasmodium vivax	SET domain protein, putative	0.0031	0.0991	0.1903
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0554	0.1175
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.2187	0.2501
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.032	0.0367
Schistosoma mansoni	DNA helicase recq1	0.002	0.0554	0.0785
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.0317	0.045
Echinococcus granulosus	geminin	0.0175	0.7062	1
Mycobacterium ulcerans	hypothetical protein	0.0052	0.1886	0.8621
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0237	0.0271
Schistosoma mansoni	hypothetical protein	0.0175	0.7062	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0991	0.1403
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.0119	0.4716	1
Echinococcus granulosus	bloom syndrome protein	0.002	0.0554	0.0785
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.9995	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0865	0.1225
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.0132	0.0279
Echinococcus multilocularis	lamin dm0	0.0028	0.0865	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0258	0.0295
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0258	0.0366
Schistosoma mansoni	netrin receptor unc5	0.0015	0.0317	0.045
Mycobacterium leprae	Conserved hypothetical protein	0.0007	0	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0865	0.0989

Activities

Activity type	Activity value	Assay description	Source	Reference
MBC (functional)	= 128 ug ml-1	Minimum bactericidal concentration against Helicobacter pylori ATCC 43504	ChEMBL.	12213070
MBC (functional)	= 391 uM	Minimum bactericidal concentration against Helicobacter pylori ATCC 43504	ChEMBL.	12213070

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

PubChem: 11099488

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 235498