TDR Targets

Basic information

Technical information

TDR Targets ID: 1608593
Name: methyl 2-(2,5-dioxo-1,6,7,8-tetrahydroquinoli n-4-yl)acetate
MW: 235.236 | Formula: C12H13NO4
H donors: 1 H acceptors: 3 LogP: -0.62 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Cc1cc(=O)[nH]c2c1C(=O)CCC2
InChi: 1S/C12H13NO4/c1-17-11(16)6-7-5-10(15)13-8-3-2-4-9(14)12(7)8/h5H,2-4,6H2,1H3,(H,13,15)
InChiKey: YEGRPPXXLNIGRK-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-(2,5-dioxo-1,6,7,8-tetrahydroquinolin-4-yl)acetic acid methyl ester
2-(2,5-diketo-1,6,7,8-tetrahydroquinolin-4-yl)acetic acid methyl ester
methyl 2-(2,5-dioxo-1,6,7,8-tetrahydroquinolin-4-yl)ethanoate
AIDS-132904
Methyl 5,6,7,8-tetrahydro-5-oxo-2-hydroxyquinolin-4-yl acetate
Methyl (2-hydroxy-5-oxo-5,6,7,8-tetrahydro-4-quinolinyl)acetate
NSC627690
AIDS132904
NCI60_008863

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
Schistosoma mansoni	zinc finger protein	0.0203	0.2977	0.1941
Schistosoma mansoni	fusion	0.0203	0.2977	0.1941
Giardia lamblia	Kinase, putative	0.0096	0.0935	0.5
Schistosoma mansoni	hypothetical protein	0.0203	0.2977	0.1941
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0203	0.2977	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0203	0.2977	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0571	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0571	1	1
Leishmania major	hypothetical protein, conserved	0.0203	0.2977	0.5
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0203	0.2977	0.2462
Onchocerca volvulus		0.0203	0.2977	0.2253
Schistosoma mansoni	brg-1 associated factor	0.0571	1	1
Echinococcus granulosus	CREB binding protein	0.0114	0.1286	0.0778
Chlamydia trachomatis	SWIB complex protein	0.0571	1	0.5
Echinococcus multilocularis	Bromodomain containing protein	0.0096	0.0935	0.027
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0203	0.2977	0.2503
Echinococcus multilocularis	bromodomain containing 2	0.0213	0.3176	0.2675
Onchocerca volvulus		0.0203	0.2977	0.2253
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0203	0.2977	0.2503
Brugia malayi	SWIB/MDM2 domain containing protein	0.0571	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0203	0.2977	0.5
Schistosoma mansoni	hypothetical protein	0.0571	1	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0203	0.2977	0.2568
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0133	0.1644	0.0782
Onchocerca volvulus		0.0571	1	1
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2977	0.2977
Entamoeba histolytica	bromodomain-containing protein	0.0096	0.0935	0.5
Leishmania major	hypothetical protein, conserved	0.0203	0.2977	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0203	0.2977	0.2462
Chlamydia trachomatis	DNA topoisomerase I	0.0571	1	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0571	1	1
Trichomonas vaginalis	bromodomain containing protein, putative	0.0133	0.1644	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2977	0.2977
Echinococcus multilocularis	zinc finger protein Ran binding	0.0203	0.2977	0.2462
Echinococcus granulosus	ring and YY1 binding protein	0.0203	0.2977	0.2568
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0203	0.2977	0.2503
Echinococcus multilocularis	SWI:SNF matrix associated	0.0571	1	1
Schistosoma mansoni	hypothetical protein	0.0571	1	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.3176	0.3176
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0213	0.3176	0.2472
Brugia malayi	YY1-associated factor 2	0.0203	0.2977	0.2503
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0203	0.2977	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0203	0.2977	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0203	0.2977	0.2462
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0203	0.2977	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0203	0.2977	0.5
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0203	0.2977	0.2253
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0571	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0203	0.2977	0.5
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0203	0.2977	0.2253
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0203	0.2977	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0213	0.3176	0.2472
Brugia malayi	TAZ zinc finger family protein	0.0114	0.1286	0.0697
Leishmania major	hypothetical protein, conserved	0.0203	0.2977	0.5
Leishmania major	hypothetical protein, conserved	0.0203	0.2977	0.5
Echinococcus granulosus	zinc finger protein Ran binding	0.0203	0.2977	0.2568
Schistosoma mansoni	hypothetical protein	0.0571	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0571	1	1
Loa Loa (eye worm)	bromodomain containing protein	0.0096	0.0935	0.0935
Trypanosoma cruzi	hypothetical protein, conserved	0.0203	0.2977	0.5
Leishmania major	hypothetical protein, conserved	0.0203	0.2977	0.5
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2977	0.2977
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0571	1	1
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2977	0.2977
Trypanosoma cruzi	WLM domain containing protein, putative	0.0203	0.2977	0.5
Schistosoma mansoni	RNA binding protein	0.0203	0.2977	0.1941
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2977	0.2977
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0571	1	1
Brugia malayi	Bromodomain containing protein	0.0213	0.3176	0.2715
Entamoeba histolytica	bromodomain-containing protein	0.0096	0.0935	0.5
Echinococcus granulosus	bromodomain containing 2	0.0213	0.3176	0.2778
Trichomonas vaginalis	conserved hypothetical protein	0.0133	0.1644	0.0782
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0571	1	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0571	1	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0571	1	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0571	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0203	0.2977	0.5
Entamoeba histolytica	bromodomain-containing protein	0.0096	0.0935	0.5
Toxoplasma gondii	ran binding protein	0.0203	0.2977	0.2253
Echinococcus granulosus	SWI:SNF matrix associated	0.0571	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.1341	0.0449
Trypanosoma cruzi	hypothetical protein, conserved	0.0203	0.2977	0.5
Onchocerca volvulus		0.0203	0.2977	0.2253
Loa Loa (eye worm)	CBP-B	0.0084	0.07	0.07
Schistosoma mansoni	TRABID protein (C64 family)	0.0203	0.2977	0.1941
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0203	0.2977	0.2568
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0203	0.2977	0.2503
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0133	0.1644	0.0782
Schistosoma mansoni	bromodomain-containing protein 3 brd3	0.0213	0.3176	0.2169
Loa Loa (eye worm)	brahma associated protein	0.0571	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0203	0.2977	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0133	0.1644	0.0782
Trichomonas vaginalis	conserved hypothetical protein	0.0571	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0571	1	1
Onchocerca volvulus		0.0203	0.2977	0.2253
Brugia malayi	Bromodomain containing protein	0.0213	0.3176	0.2715

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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: CHEMBL1990805

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1608593