TDR Targets

Basic information

Technical information

TDR Targets ID: 1393041
Name: N-[3-(ethyl-phenylamino)propyl]-5-methyl-4-ox othieno[4,5-c]quinoline-2-carboxamide
MW: 419.539 | Formula: C24H25N3O2S
H donors: 1 H acceptors: 2 LogP: 4.51 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1ccccc1)CCCNC(=O)c1sc2c(c1)c(=O)n(c1c2cccc1)C
InChi: 1S/C24H25N3O2S/c1-3-27(17-10-5-4-6-11-17)15-9-14-25-23(28)21-16-19-22(30-21)18-12-7-8-13-20(18)26(2)24(19)29/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,25,28)
InChiKey: ASPFWWYROPMYCR-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-[3-(ethyl-phenyl-amino)propyl]-5-methyl-4-oxo-thieno[4,5-c]quinoline-2-carboxamide
N-[3-(ethyl-phenylamino)propyl]-5-methyl-4-oxo-2-thieno[4,5-c]quinolinecarboxamide
N-[3-(ethyl-phenyl-amino)propyl]-4-keto-5-methyl-thieno[4,5-c]quinoline-2-carboxamide
C498-0589
NCGC00108706-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504

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	microtubule associated protein 2	0.0833	0.5806	0.5806
Onchocerca volvulus		0.0043	0.006	0.033
Onchocerca volvulus		0.0238	0.1477	0.8093
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.006	0.006
Brugia malayi	Carboxylesterase family protein	0.0238	0.1477	0.1477
Entamoeba histolytica	hypothetical protein	0.0043	0.006	0.5
Echinococcus granulosus	carboxylesterase 5A	0.141	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0.006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0238	0.1477	0.8312
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0006	0.0006
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0182	0.0182
Loa Loa (eye worm)	hypothetical protein	0.006	0.0178	0.0178
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0054	0.0054
Entamoeba histolytica	hypothetical protein	0.0043	0.006	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.01	0.01
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0182	0.0182
Brugia malayi	hypothetical protein	0.0238	0.1477	0.1477
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1825	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0006	0.1018
Loa Loa (eye worm)	acetylcholinesterase 1	0.141	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0273	0.0273
Echinococcus multilocularis	tumor protein p63	0.0408	0.2712	0.2712
Loa Loa (eye worm)	carboxylesterase	0.0238	0.1477	0.1477
Toxoplasma gondii	ABC1 family protein	0.0043	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.041	0.041
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.0583	0.0583
Onchocerca volvulus		0.0238	0.1477	0.8093
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0006	0.0006
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.006	0.5
Echinococcus granulosus	acetylcholinesterase	0.141	1	1
Onchocerca volvulus		0.0238	0.1477	0.8093
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0238	0.1477	0.1477
Schistosoma mansoni	acetylcholinesterase	0.0238	0.1477	0.1477
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0238	0.1477	0.1477
Brugia malayi	beta-lactamase family protein	0.0043	0.006	0.006
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0006	0.0006
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1572	0.1572
Mycobacterium leprae	Probable lipase LipE	0.0043	0.006	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0238	0.1477	0.8312
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.141	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.006	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.006	0.5
Brugia malayi	Pre-SET motif family protein	0.0251	0.1572	0.1572
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0006	0.0006
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0054	0.0054
Loa Loa (eye worm)	carboxylesterase	0.141	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Onchocerca volvulus		0.0238	0.1477	0.8093
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0054	0.0054
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.006	1
Loa Loa (eye worm)	hypothetical protein	0.141	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0238	0.1477	0.1477
Brugia malayi	Pre-SET motif family protein	0.0036	0.0006	0.0006
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.1765	1
Leishmania major	hypothetical protein, conserved	0.0043	0.006	0.5
Echinococcus multilocularis	acetylcholinesterase	0.141	1	1
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.5806	0.5806
Onchocerca volvulus		0.0043	0.006	0.033
Echinococcus granulosus	para nitrobenzyl esterase	0.0238	0.1477	0.1477
Schistosoma mansoni	gliotactin	0.0238	0.1477	0.1477
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.006	0.006
Onchocerca volvulus		0.0036	0.0006	0.0034
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.006	0.006
Mycobacterium ulcerans	carboxylesterase, LipT	0.0238	0.1477	1
Brugia malayi	Carboxylesterase family protein	0.0238	0.1477	0.1477
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.006	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0793	0.0793
Schistosoma mansoni	hypothetical protein	0.0041	0.0043	0.0043
Onchocerca volvulus		0.0043	0.006	0.033
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Brugia malayi	Carboxylesterase family protein	0.0238	0.1477	0.1477
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0043	0.0043
Brugia malayi	beta-lactamase	0.0043	0.006	0.006
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1477	0.1477
Brugia malayi	jmjC domain containing protein	0.0115	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.5806	0.5806
Loa Loa (eye worm)	beta-lactamase	0.0043	0.006	0.006
Onchocerca volvulus		0.0238	0.1477	0.8093
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0182	0.0182
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0178	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.141	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0183	0.0183
Onchocerca volvulus		0.006	0.0178	0.0977
Echinococcus multilocularis	carboxylesterase 5A	0.141	1	1
Brugia malayi	Carboxylesterase family protein	0.0238	0.1477	0.1477
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.0583	0.0583
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0238	0.1477	0.1477
Plasmodium vivax	SET domain protein, putative	0.0036	0.0006	0.1018
Brugia malayi	beta-lactamase family protein	0.0043	0.006	0.006
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0238	0.1477	0.8028
Echinococcus granulosus	acetylcholinesterase	0.141	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0793	0.0793
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1477	0.1477
Entamoeba histolytica	hypothetical protein	0.0043	0.006	0.5
Echinococcus granulosus	tumor protein p63	0.0408	0.2712	0.2712
Trichomonas vaginalis	spcc417.12 protein, putative	0.0238	0.1477	0.8028
Brugia malayi	jmjC domain containing protein	0.0043	0.0054	0.0054
Onchocerca volvulus		0.0286	0.1825	1
Giardia lamblia	PHD finger protein 15	0.0035	0	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.006	0.006
Echinococcus multilocularis	neuroligin	0.0238	0.1477	0.1477
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.01	0.01
Echinococcus multilocularis	para nitrobenzyl esterase	0.0238	0.1477	0.1477
Brugia malayi	MH2 domain containing protein	0.0144	0.0793	0.0793
Brugia malayi	hypothetical protein	0.0043	0.006	0.006
Loa Loa (eye worm)	carboxylesterase	0.0238	0.1477	0.1477
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.006	0.0182	0.0182
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0238	0.1477	0.1477
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0238	0.1477	0.8312
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Echinococcus multilocularis	acetylcholinesterase	0.141	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0006	0.0006
Echinococcus granulosus	neuroligin	0.0238	0.1477	0.1477
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.006	0.006
Brugia malayi	Carboxylesterase family protein	0.141	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.006	0.006
Echinococcus granulosus	BC026374 protein S09 family	0.0238	0.1477	0.1477
Schistosoma mansoni	BC026374 protein (S09 family)	0.0238	0.1477	0.1477
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.006	0.006
Plasmodium falciparum	phd finger protein, putative	0.0035	0	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.006	0.006
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1477	0.1477
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0043	0.006	0.006

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (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: CHEMBL1529013

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1393041