TDR Targets

Basic information

Technical information

TDR Targets ID: 1485431
Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]- N-(oxolan-2-ylmethyl)acetamide
MW: 342.864 | Formula: C14H15ClN2O2S2
H donors: 1 H acceptors: 2 LogP: 3.6 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CSc1nc2c(s1)ccc(c2)Cl)NCC1CCCO1
InChi: 1S/C14H15ClN2O2S2/c15-9-3-4-12-11(6-9)17-14(21-12)20-8-13(18)16-7-10-2-1-5-19-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,18)
InChiKey: XKTRWHZWNWGGKY-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-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-tetrahydrofuranylmethyl)acetamide
2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(tetrahydrofurfuryl)acetamide
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(oxolan-2-ylmethyl)ethanamide
Oprea1_198084
A2735/0116140
2-(5-Chloro-benzothiazol-2-ylsulfanyl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	RNA 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
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
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
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
Loa Loa (eye worm)	RNA recognition domain-containing protein 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 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

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
Brugia malayi	nuclear receptor NHR-88	0.002	0.0058	0.0164
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0893	0.084
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0058	0.0164
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0893	0.084
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0194	0.0318
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.077	0.2162
Echinococcus multilocularis	tissue type plasminogen activator	0.0029	0.0194	0.0137
Schistosoma mansoni	hypothetical protein	0.017	0.2273	0.2228
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0186	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0194	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0227	0.0169
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0105	0.2652
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0073	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0058	0.0164
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0058	0.0164
Schistosoma mansoni	hypothetical protein	0.0032	0.0227	0.0169
Brugia malayi	Protein kinase domain containing protein	0.0029	0.0194	0.0546
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0133	0.4893
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0186	0.9349
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0227	0.0169
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0893	0.084
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0133	0.4893
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0133	0.4893
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0227	0.0169
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0058	0.0164
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0227	0.0169
Brugia malayi	MH2 domain containing protein	0.0123	0.1585	0.4449
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0105	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0893	0.1956
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0105	0.2652
Echinococcus multilocularis	snurportin 1	0.0308	0.4327	0.4294
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0403	0.0347
Brugia malayi	Importin beta-1 subunit	0.0029	0.0186	0.0523
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0058	0.0164
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0186	0.0129
Brugia malayi	RNA, U transporter 1	0.0082	0.0975	0.2738
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0133	0.4893
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.4327	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0186	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0893	0.084
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0186	0.9349
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0058	0.0164
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0058	0.0164
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0073	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0058	0.0164
Entamoeba histolytica	hypothetical protein	0.0043	0.0403	1
Echinococcus granulosus	tissue type plasminogen activator	0.0029	0.0194	0.0137
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0073	0.0206
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0058	0.0164
Schistosoma mansoni	hypothetical protein	0.0029	0.0194	0.0137
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0073	0.0035
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0133	0.4893
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0893	0.084
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0893	0.1956
Onchocerca volvulus		0.0029	0.0194	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0256	0.3562	0.8208
Schistosoma mansoni	microtubule-associated protein tau	0.069	1	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0893	0.084
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0227	0.0636
Brugia malayi	hypothetical protein	0.0025	0.0133	0.0372
Entamoeba histolytica	hypothetical protein	0.0043	0.0403	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0893	0.084
Echinococcus granulosus	geminin	0.017	0.2273	0.2228
Schistosoma mansoni	ran	0.0021	0.0073	0.0015
Entamoeba histolytica	hypothetical protein	0.0043	0.0403	1
Schistosoma mansoni	importin beta-1	0.0029	0.0186	0.0129
Schistosoma mansoni	hypothetical protein	0.0032	0.0227	0.0169
Echinococcus multilocularis	microtubule associated protein 2	0.069	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0058	0.0164
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0227	0.0394
Echinococcus multilocularis	neuropeptide receptor A26	0.0463	0.6621	0.6602
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0133	0.4893
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0893	0.1956
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.1585	0.3576
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0186	0.03
Schistosoma mansoni	hypothetical protein	0.0308	0.4327	0.4294
Plasmodium falciparum	cysteine repeat modular protein 1	0.0029	0.0194	1
Echinococcus multilocularis	geminin	0.017	0.2273	0.2228
Leishmania major	hypothetical protein, conserved	0.0025	0.0133	0.4893
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.1238	0.3476
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.1585	0.3576
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0186	0.0129
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0073	0.0015
Loa Loa (eye worm)	TK/ROR protein kinase	0.0029	0.0194	0.0318
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0029	0.0194	1
Schistosoma mansoni	hypothetical protein	0.017	0.2273	0.2228
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0403	0.0347
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0133	0.5234
Schistosoma mansoni	hypothetical protein	0.0068	0.077	0.0716
Entamoeba histolytica	hypothetical protein	0.0043	0.0403	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0105	0.0972
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0058	0.0164
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0058	0.0164
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.1238	0.3476
Echinococcus granulosus	neuropeptide receptor A26	0.0463	0.6621	0.6602
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.1238	0.2764
Brugia malayi	nuclear hormone receptor	0.002	0.0058	0.0164
Onchocerca volvulus		0.0151	0.2001	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0256	0.3562	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0058	0.0164
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0227	0.0636
Brugia malayi	hypothetical protein	0.0043	0.0403	0.1132
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0058	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0174
Plasmodium falciparum	importin beta, putative	0.0029	0.0186	0.9349
Schistosoma mansoni	hypothetical protein	0.0032	0.0227	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0227	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0068	0.077	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2001	0.4551
Schistosoma mansoni	ran	0.0021	0.0073	0.0015
Echinococcus granulosus	GPCR family 2	0.0032	0.0227	0.0169
Echinococcus granulosus	snurportin 1	0.0308	0.4327	0.4294
Brugia malayi	Kringle domain containing protein	0.0029	0.0194	0.0546
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0105	1
Brugia malayi	TAR-binding protein	0.0076	0.0893	0.2508
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0058	0.0164
Loa Loa (eye worm)	hypothetical protein	0.01	0.1238	0.2764
Leishmania major	hypothetical protein, conserved	0.0029	0.0194	1
Brugia malayi	RNA binding protein	0.0076	0.0893	0.2508
Echinococcus granulosus	neuropeptide s receptor	0.0463	0.6621	0.6602
Schistosoma mansoni	hypothetical protein	0.0043	0.0403	0.0347
Brugia malayi	hypothetical protein	0.0151	0.2001	0.5618
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0227	0.0169
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0105	1
Toxoplasma gondii	kringle domain-containing protein	0.0029	0.0194	1
Brugia malayi	steroid hormone receptor	0.002	0.0058	0.0164
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0403	0.0347
Brugia malayi	ecdysteroid receptor	0.002	0.0058	0.0164
Schistosoma mansoni	hypothetical protein	0.0032	0.0227	0.0169
Echinococcus multilocularis	neuropeptide s receptor	0.0463	0.6621	0.6602
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0893	0.2508

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.5821 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)	19.9526 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	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

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: CHEMBL1717389

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 1485431