TDR Targets

Basic information

Technical information

TDR Targets ID: 841503
Name: N-(2-dimethylaminoethyl)-8-methyl-4-oxo-5H-th ieno[4,5-c]quinoline-2-carboxamide
MW: 329.417 | Formula: C17H19N3O2S
H donors: 2 H acceptors: 3 LogP: 3.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNC(=O)c1cc2c(s1)c1cc(C)ccc1nc2O)C
InChi: 1S/C17H19N3O2S/c1-10-4-5-13-11(8-10)15-12(16(21)19-13)9-14(23-15)17(22)18-6-7-20(2)3/h4-5,8-9H,6-7H2,1-3H3,(H,18,22)(H,19,21)
InChiKey: ZVEFOGHIFGYELY-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-(2-dimethylaminoethyl)-4-keto-8-methyl-5H-thieno[4,5-c]quinoline-2-carboxamide

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 granulosus	carbonic anhydrase II	0.0118	0.3167	0.2916
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0161	0.0161
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0047	0.0983	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0354	0.0354
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0027	0.0354	0.0195
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0068	0.1629	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0339	1	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0068	0.1629	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0021	0.0161	0.0537
Trypanosoma brucei	carbonic anhydrase-like protein	0.0118	0.3167	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0161	0.0537
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0161	0.0354
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0163	0.456	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	0.3572
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	0.3572
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0047	0.0983	0.5324
Leishmania major	hypothetical protein, conserved	0.005	0.1076	0.3042
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0163	0.456	1
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0163	0.456	0.4471
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0118	0.3167	0.3055
Onchocerca volvulus		0.0163	0.456	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0339	1	1
Toxoplasma gondii	aspartyl protease ASP1	0.0047	0.0983	0.5324
Plasmodium falciparum	plasmepsin I	0.0047	0.0983	0.6037
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0163	0.456	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0354	0.0354
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0068	0.1629	0.1322
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0023	0.0248	0.0593
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0027	0.0354	0.0195
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0047	0.0983	0.0653
Schistosoma mansoni	peptidase Clp (S14 family)	0.0068	0.1629	0.1322
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0118	0.3167	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0163	0.456	1
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0163	0.456	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.005	0.1076	0.0258
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0047	0.0983	0.0983
Mycobacterium ulcerans	hypothetical protein	0.0021	0.0161	0.0354
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0118	0.3167	0.2916
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0163	0.456	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0021	0.0161	0.0354
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0027	0.0354	0.0195
Schistosoma mansoni	cathepsin D (A01 family)	0.0139	0.3829	0.3602
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1629	0.1629
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0027	0.0354	0.0354
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0021	0.0161	0.0354
Loa Loa (eye worm)	carbonic anhydrase 3	0.0118	0.3167	0.3167
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.005	0.1076	0.0258
Toxoplasma gondii	hypothetical protein	0.0027	0.0354	0.0762
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0339	1	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0047	0.0983	0.0653
Brugia malayi	Probable ClpP-like protease	0.0068	0.1629	0.1491
Leishmania major	carbonic anhydrase-like protein	0.0118	0.3167	1
Echinococcus multilocularis	carbonic anhydrase II	0.0118	0.3167	0.2916
Plasmodium falciparum	carbonic anhydrase	0.0027	0.0354	0.2172
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0118	0.3167	0.3167
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0161	0.0161
Plasmodium falciparum	plasmepsin II	0.0047	0.0983	0.6037
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0045	0.0903	0.3004
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0045	0.0903	0.057
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0068	0.1629	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0139	0.3829	0.3602
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	0.5
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0118	0.3167	0.2916
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0163	0.456	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0045	0.0903	0.5056
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0163	0.456	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0045	0.0903	0.3004
Plasmodium falciparum	plasmepsin IV	0.0047	0.0983	0.6037
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0068	0.1629	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0983	0.0983
Plasmodium vivax	aspartyl proteinase, putative	0.0047	0.0983	0.6037
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0163	0.456	0.456
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0161	0.0354
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0021	0.0161	0.0354
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0161	0.0354
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0163	0.456	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0023	0.0248	0.1526
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0068	0.1629	1
Plasmodium vivax	plasmepsin IV, putative	0.0047	0.0983	0.6037
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0113	0.3007	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0027	0.0354	0.0195
Echinococcus granulosus	peptidase Clp S14 family	0.0045	0.0903	0.057
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0163	0.456	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0021	0.0161	0.0354
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0118	0.3167	0.3055
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0027	0.0354	0.0195
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0068	0.1629	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0354	0.0354
Plasmodium falciparum	plasmepsin VI	0.0047	0.0983	0.6037
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0023	0.0248	0.1526
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0118	0.3167	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 841503