TDR Targets

Basic information

Technical information

TDR Targets ID: 605860
Name: 2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)s ulfanyl-N-(4-methoxyphenyl)acetamide
MW: 375.465 | Formula: C17H17N3O3S2
H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC(=O)CSc1nc2ccsc2c(=O)n1CC
InChi: 1S/C17H17N3O3S2/c1-3-20-16(22)15-13(8-9-24-15)19-17(20)25-10-14(21)18-11-4-6-12(23-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,18,21)
InChiKey: XZTLNHTWFDPCCX-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-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
2-[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]-N-(4-methoxyphenyl)acetamide
2-[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]-N-(4-methoxyphenyl)acetamide
2-(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)ethanamide
EU-0028320
ChemDiv3_012938

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
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0087	0.0158
Leishmania major	cathepsin L-like protease	0.0071	0.1853	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0273	0.0273
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0087	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0273	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0147	0.0112
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.5494	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Loa Loa (eye worm)	fibroinase	0.0019	0.0273	0.0344
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Onchocerca volvulus		0.005	0.1216	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.5494	1
Echinococcus granulosus	tar DNA binding protein	0.0192	0.5494	0.5494
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0273	0.1472
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0273	0.0273
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0273	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Leishmania major	cathepsin L-like protease	0.0071	0.1853	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0195	0.0201
Onchocerca volvulus		0.0019	0.0273	0.1646
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1077	0.1961
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Onchocerca volvulus		0.0019	0.0273	0.1646
Plasmodium vivax	vivapain-2	0.0019	0.0273	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Echinococcus granulosus	lamin dm0	0.003	0.0616	0.0616
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Echinococcus multilocularis	lamin	0.003	0.0616	0.0616
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Echinococcus granulosus	lamin	0.003	0.0616	0.0616
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.0273	0.0273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Loa Loa (eye worm)	TAR-binding protein	0.0192	0.5494	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.0273	0.0344
Onchocerca volvulus		0.0019	0.0273	0.1646
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1077	0.1961
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.1667	0.8997
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Echinococcus granulosus	cathepsin l1	0.0013	0.0087	0.0087
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1077	0.1077
Onchocerca volvulus		0.0019	0.0273	0.1646
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0087	0.3182
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.5494	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1853	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0015	0.0147	0.0147
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.0273	0.0273
Brugia malayi	cathepsin L-like precursor	0.0013	0.0087	0.0158
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0273	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Onchocerca volvulus		0.003	0.0616	0.4685
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0131	0.0082
Onchocerca volvulus		0.0019	0.0273	0.1646
Brugia malayi	intermediate filament protein	0.003	0.0616	0.1121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.1216	0.2214
Onchocerca volvulus		0.0019	0.0273	0.1646
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0273	0.1646
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0273	1
Schistosoma mansoni	lamin	0.003	0.0616	0.1121
Toxoplasma gondii	cathepsin CPL	0.0019	0.0273	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.5494	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1853	1
Echinococcus multilocularis	musashi	0.003	0.0616	0.0616
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1077	0.1961
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.0273	1
Loa Loa (eye worm)	ctsf protein	0.0019	0.0273	0.0344
Echinococcus multilocularis	lamin dm0	0.003	0.0616	0.0616
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0195	0.0356
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0616	0.1121
Brugia malayi	RNA binding protein	0.0192	0.5494	1
Leishmania major	cathepsin L-like protease	0.0071	0.1853	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0087	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0087	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1077	0.1077
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0273	0.0273
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0273	0.0496
Loa Loa (eye worm)	hypothetical protein	0.003	0.0616	0.0979
Echinococcus granulosus	cathepsin l1	0.0019	0.0273	0.0273
Brugia malayi	MH2 domain containing protein	0.0133	0.372	0.677
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1077	0.1961
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.5494	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.1394	0.7525
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0273	0.0344
Loa Loa (eye worm)	hypothetical protein	0.005	0.1216	0.2089
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1853	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0131	0.0082
Echinococcus multilocularis	tumor protein p63	0.0342	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0087	0.0158
Brugia malayi	RNA recognition motif domain containing protein	0.0192	0.5494	1
Echinococcus granulosus	intermediate filament protein	0.003	0.0616	0.0616
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0273	0.0496
Echinococcus multilocularis	cysteine protease	0.0019	0.0273	0.0273
Schistosoma mansoni	lamin	0.003	0.0616	0.1121
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0616	0.0979
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0087	0.0158
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0192	0.5494	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0273	0.0496
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Plasmodium vivax	vivapain-2	0.0019	0.0273	1
Schistosoma mansoni	intermediate filament proteins	0.003	0.0616	0.1121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0273	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0616	0.0979
Onchocerca volvulus		0.003	0.0616	0.4685
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0273	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1077	0.1832
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Loa Loa (eye worm)	RNA binding protein	0.0192	0.5494	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Brugia malayi	TAR-binding protein	0.0192	0.5494	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0273	0.0496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.0273	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0133	0.372	0.6718
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1077	0.1077
Onchocerca volvulus		0.0019	0.0273	0.1646
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1077	0.1077
Loa Loa (eye worm)	hypothetical protein	0.003	0.0599	0.0948
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.0273	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0273	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0273	0.0273
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0273	0.1646
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0015	0.0147	0.0147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1853	1
Echinococcus multilocularis	cysteine protease	0.0019	0.0273	0.0273
Trypanosoma cruzi	cruzipain precursor, putative	0.0071	0.1853	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0273	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0133	0.372	0.6718
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.0273	0.1646
Echinococcus multilocularis	tar DNA binding protein	0.0192	0.5494	0.5494
Loa Loa (eye worm)	cysteine protease	0.0019	0.0273	0.0344

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	> 11.7 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 11.7 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.475 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.475 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	> 1.25 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	> 1.25 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL576777
Search by Novartis-GNF Malaria Box

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 605860