TDR Targets

Basic information

Technical information

TDR Targets ID: 1290577
Name: N-(4-methoxyphenyl)-2-[[3-(3-methoxypropyl)-4 -oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulf anyl]acetamide
MW: 469.576 | Formula: C23H23N3O4S2
H donors: 1 H acceptors: 2 LogP: 4.26 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COCCCn1c(SCC(=O)Nc2ccc(cc2)OC)nc2c(c1=O)sc1c2cccc1
InChi: 1S/C23H23N3O4S2/c1-29-13-5-12-26-22(28)21-20(17-6-3-4-7-18(17)32-21)25-23(26)31-14-19(27)24-15-8-10-16(30-2)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3,(H,24,27)
InChiKey: VWIZPVQQJIIICL-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

N-(4-methoxyphenyl)-2-[3-(3-methoxypropyl)-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide
N-(4-methoxyphenyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-benzothiopheno[3,2-d]pyrimidinyl]thio]acetamide
2-[[4-keto-3-(3-methoxypropyl)benzothiopheno[3,2-d]pyrimidin-2-yl]thio]-N-(4-methoxyphenyl)acetamide
N-(4-methoxyphenyl)-2-[[3-(3-methoxypropyl)-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl]sulfanyl]ethanamide
K263-0464
NCGC00141818-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	intermediate filament protein	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	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
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	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
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	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
Brugia malayi	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
Echinococcus granulosus	lamin	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 japonicum	expressed protein	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	expressed 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	intermediate filament protein	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
Echinococcus multilocularis	lamin dm0	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	ko:K07611 lamin, putative	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 mansoni	lamin	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
Echinococcus multilocularis	musashi	0.0033	0.1033	0.1033
Schistosoma mansoni	choline o-acyltransferase	0.0024	0.0639	0.0908
Leishmania major	pyruvate kinase	0.0032	0.102	0.0784
Echinococcus granulosus	pyruvate kinase	0.0032	0.102	0.102
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.102	0.0784
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0131	0.5507	1
Schistosoma mansoni	pyruvate kinase	0.0032	0.102	0.145
Brugia malayi	Choline O-acetyltransferase	0.0024	0.0639	0.0639
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.5659	0.8042
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0236	0.0236
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.5205	0.5205
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1678	0.1678
Schistosoma mansoni	lamin	0.0033	0.1033	0.1468
Schistosoma mansoni	hypothetical protein	0.0124	0.5205	0.7396
Echinococcus multilocularis	pyruvate kinase	0.0025	0.071	0.071
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.102	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0024	0.0639	0.0639
Echinococcus multilocularis	pyruvate kinase	0.0032	0.102	0.102
Onchocerca volvulus		0.0033	0.1033	0.1969
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.1033	0.1033
Echinococcus granulosus	geminin	0.0164	0.7037	0.7037
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0263	0.0263
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.102	0.102
Brugia malayi	hypothetical protein	0.0125	0.5245	0.5245
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.102	0.5
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.0342	0.0342
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0131	0.5507	0.5507
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.102	0.102
Leishmania major	pyruvate kinase	0.0032	0.102	0.0784
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4912	0.4912
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.102	0.1946
Plasmodium falciparum	pyruvate kinase	0.0032	0.102	1
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.102	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0574	0.0574
Brugia malayi	intermediate filament protein	0.0033	0.1033	0.1033
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.102	1
Onchocerca volvulus		0.0024	0.0639	0.1218
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.1033	0.1033
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0263	0.0263
Onchocerca volvulus		0.0033	0.1033	0.1969
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.102	0.5
Loa Loa (eye worm)	choline O-acetyltransferase	0.0024	0.0639	0.0639
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0131	0.5507	1
Echinococcus granulosus	choline O acetyltransferase	0.0024	0.0639	0.0639
Echinococcus multilocularis	choline O acetyltransferase	0.0024	0.0639	0.0639
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0303	0.0303
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0574	0.0574
Onchocerca volvulus		0.0047	0.1678	0.32
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0131	0.5507	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0024	0.0639	0.0639
Echinococcus multilocularis	lamin dm0	0.0033	0.1033	0.1033
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.102	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0263	0.0263
Giardia lamblia	Pyruvate kinase	0.0032	0.102	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1678	0.2385
Echinococcus granulosus	pyruvate kinase	0.0017	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0125	0.5245	0.5245
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0131	0.5507	0.5507
Loa Loa (eye worm)	hypothetical protein	0.0125	0.5245	0.5245
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0236	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1006	0.1006
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0032	0.102	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.102	0.102
Schistosoma mansoni	hypothetical protein	0.0164	0.7037	1
Echinococcus multilocularis	geminin	0.0164	0.7037	0.7037
Echinococcus multilocularis	pyruvate kinase	0.0032	0.102	0.102
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0131	0.5507	0.5507
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0342	0.0342
Schistosoma mansoni	intermediate filament proteins	0.0033	0.1033	0.1468
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.102	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1033	0.1033
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4912	0.4912
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0024	0.0639	0.0639
Schistosoma mansoni	hypothetical protein	0.0164	0.7037	1
Onchocerca volvulus		0.0024	0.0639	0.1218
Echinococcus granulosus	lamin	0.0033	0.1033	0.1033
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.102	0.0784
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.102	0.102
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.102	0.102
Schistosoma mansoni	lamin	0.0033	0.1033	0.1468
Schistosoma mansoni	pyruvate kinase	0.0017	0.0303	0.043
Onchocerca volvulus		0.0024	0.0639	0.1218
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.1033	0.1033
Echinococcus granulosus	intermediate filament protein	0.0033	0.1033	0.1033
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.5659	0.5659
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0639	0.0639
Schistosoma mansoni	choline o-acyltransferase	0.0024	0.0639	0.0908
Onchocerca volvulus	Huntingtin homolog	0.0125	0.5245	1
Brugia malayi	Choline O-acetyltransferase	0.0024	0.0639	0.0639
Echinococcus granulosus	pyruvate kinase	0.0017	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0131	0.5507	0.5507
Schistosoma mansoni	hypothetical protein	0.0047	0.1678	0.2385
Onchocerca volvulus		0.0024	0.0639	0.1218
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.102	0.1946
Echinococcus multilocularis	lamin	0.0033	0.1033	0.1033
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.5205	0.5205
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0024	0.0639	0.0639
Chlamydia trachomatis	pyruvate kinase	0.0032	0.102	0.5
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.102	0.5
Echinococcus granulosus	pyruvate kinase	0.0032	0.102	0.102
Schistosoma mansoni	pyruvate kinase	0.0032	0.102	0.145
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0303	0.0303
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0024	0.0639	0.0639
Echinococcus granulosus	lamin dm0	0.0033	0.1033	0.1033
Loa Loa (eye worm)	hypothetical protein	0.0032	0.102	0.102
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0024	0.0639	0.0639
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.5659	0.8042
Brugia malayi	MH2 domain containing protein	0.0118	0.4912	0.4912
Echinococcus granulosus	pyruvate kinase	0.0017	0.0303	0.0303
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0574	0.5
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.102	0.1946
Onchocerca volvulus	Huntingtin homolog	0.0125	0.5245	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1778 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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: CHEMBL1395249

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 1290577