TDR Targets

Basic information

Technical information

TDR Targets ID: 147383
Name: ethyl 3-(4-ethoxy-4-oxobutyl)-7,8-dimethoxy-4 -oxopyrimido[4,5-b]quinoline-2-carboxylate
MW: 443.45 | Formula: C22H25N3O7
H donors: 0 H acceptors: 4 LogP: 2.62 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1nc2nc3cc(OC)c(cc3cc2c(=O)n1CCCC(=O)OCC)OC
InChi: 1S/C22H25N3O7/c1-5-31-18(26)8-7-9-25-20(22(28)32-6-2)24-19-14(21(25)27)10-13-11-16(29-3)17(30-4)12-15(13)23-19/h10-12H,5-9H2,1-4H3
InChiKey: LWIASNOHGNIRSZ-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

ethyl 3-(4-ethoxy-4-oxo-butyl)-7,8-dimethoxy-4-oxo-pyrimido[4,5-b]quinoline-2-carboxylate
3-(4-ethoxy-4-oxobutyl)-7,8-dimethoxy-4-oxo-2-pyrimido[4,5-b]quinolinecarboxylic acid ethyl ester
3-(4-ethoxy-4-keto-butyl)-4-keto-7,8-dimethoxy-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester

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
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0163	0.1349	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1388	0.3482
Onchocerca volvulus		0.0163	0.1349	0.3384
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0017	0.0043
Trypanosoma brucei	hypothetical protein, conserved	0.0163	0.1349	0.5
Schistosoma mansoni	hypothetical protein	0.0164	0.1355	0.3427
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0305	0.0305
Schistosoma mansoni	RNA binding protein	0.0163	0.1349	0.3412
Brugia malayi	SRC-1	0.0045	0.0305	0.0772
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0017	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.0163	0.1349	0.5
Echinococcus granulosus	Zinc finger RanBP2 type	0.0163	0.1349	0.1349
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0017	0.0017
Leishmania major	hypothetical protein, conserved	0.0163	0.1349	0.5
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1349	0.3384
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0163	0.1349	0.3384
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0017	0.0043
Schistosoma mansoni	apoptosis regulator bax	0.0164	0.1355	0.3427
Schistosoma mansoni	coup transcription factor	0.0012	0.0017	0.0043
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0039	0.0256	0.0256
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0017	0.0017
Echinococcus granulosus	tyrosine protein kinase Blk	0.004	0.0267	0.0267
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0017	0.0017
Leishmania major	hypothetical protein, conserved	0.0163	0.1349	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0459	0.3954	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0305	0.0305
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0305	0.0305
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0164	0.1355	0.1355
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0017	0.0017
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0459	0.3954	1
Leishmania major	hypothetical protein, conserved	0.0163	0.1349	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0017	0.0043
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0459	0.3954	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0305	0.0305
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0017	0.0017
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0164	0.1355	0.1355
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0017	0.0017
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0017	0.0017
Onchocerca volvulus		0.0459	0.3954	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0017	0.0017
Schistosoma mansoni	zinc finger protein	0.0163	0.1349	0.3412
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0017	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0459	0.3954	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0017	0.0043
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0017	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.0163	0.1349	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0017	0.0043
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0017	0.0043
Schistosoma mansoni	hypothetical protein	0.0459	0.3954	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0459	0.3954	0.3954
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0163	0.1349	0.3412
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0163	0.1349	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.0459	0.3954	1
Onchocerca volvulus		0.0163	0.1349	0.3384
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0017	0.0043
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0017	0.0017
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0163	0.1349	0.1349
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.004	0.0267	0.0267
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0163	0.1349	0.5
Brugia malayi	ecdysteroid receptor	0.0012	0.0017	0.0043
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0017	0.0043
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0017	0.0043
Chlamydia trachomatis	SWIB complex protein	0.0459	0.3954	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0017	0.0043
Loa Loa (eye worm)	SRC-1	0.0045	0.0305	0.0732
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0459	0.3954	0.3954
Schistosoma mansoni	brg-1 associated factor	0.0459	0.3954	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0305	0.0305
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0163	0.1349	0.1349
Brugia malayi	nuclear hormone receptor	0.0012	0.0017	0.0043
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0163	0.1349	0.5
Schistosoma mansoni	fusion	0.0163	0.1349	0.3412
Echinococcus granulosus	ring and YY1 binding protein	0.0163	0.1349	0.1349
Echinococcus multilocularis	tyrosine protein kinase Blk	0.004	0.0267	0.0267
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.092	0.8011	0.8011
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0163	0.1349	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.004	0.0267	0.0267
Schistosoma mansoni	hypothetical protein	0.0163	0.1349	0.3412
Schistosoma mansoni	tyrosine kinase	0.0045	0.0305	0.0772
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0017	0.0043
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305
Onchocerca volvulus		0.0168	0.1388	0.3482
Plasmodium vivax	hypothetical protein, conserved	0.0459	0.3954	0.5
Entamoeba histolytica	protein kinase, putative	0.0036	0.0227	0.5
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0164	0.1355	0.3427
Onchocerca volvulus		0.0163	0.1349	0.3384
Schistosoma mansoni	hypothetical protein	0.0164	0.1355	0.3427
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0017	0.0043
Trypanosoma cruzi	hypothetical protein, conserved	0.0163	0.1349	0.5
Schistosoma mansoni	tyrosine kinase	0.0045	0.0305	0.0772
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0459	0.3954	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0459	0.3954	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0305	0.0305
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0017	0.0017
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0017	0.0017
Brugia malayi	YY1-associated factor 2	0.0163	0.1349	0.3412
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0017	0.0043
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0017	0.0043
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0163	0.1349	0.3412
Trypanosoma brucei	hypothetical protein, conserved	0.0163	0.1349	0.5
Loa Loa (eye worm)	apoptosis regulator protein	0.0164	0.1355	0.3399
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0017	0.0043
Loa Loa (eye worm)	TK protein kinase	0.004	0.0267	0.0634
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0163	0.1349	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0305	0.0305
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0305	0.0305
Trypanosoma cruzi	WLM domain containing protein, putative	0.0163	0.1349	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0017	0.0043
Echinococcus multilocularis	tumor protein p63	0.1146	1	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.004	0.0267	0.0267
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0459	0.3954	1
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0227	0.0227
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0227	0.0227
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0017	0.0043
Echinococcus granulosus	tyrosine kinase	0.004	0.0267	0.0267
Brugia malayi	protein-tyrosine kinase	0.004	0.0267	0.0674
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0017	0.0043
Schistosoma mansoni	hypothetical protein	0.0164	0.1355	0.3427
Leishmania major	hypothetical protein, conserved	0.0163	0.1349	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305
Loa Loa (eye worm)	brahma associated protein	0.0459	0.3954	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1349	0.3384
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0017	0.0043
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0017	0.0017
Echinococcus granulosus	SWI:SNF matrix associated	0.0459	0.3954	0.3954
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305
Leishmania major	hypothetical protein, conserved	0.0163	0.1349	0.5
Brugia malayi	steroid hormone receptor	0.0012	0.0017	0.0043
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0017	0.0043
Echinococcus granulosus	zinc finger protein Ran binding	0.0163	0.1349	0.1349
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1349	0.3384
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0163	0.1349	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0163	0.1349	0.3412
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0163	0.1349	0.1349
Brugia malayi	brahma associated protein 60 kDa	0.0459	0.3954	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0459	0.3954	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0163	0.1349	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0305	0.0305
Schistosoma mansoni	cellular tumor antigen P53	0.0168	0.1388	0.351
Echinococcus multilocularis	SWI:SNF matrix associated	0.0459	0.3954	0.3954
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0039	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1349	0.3384
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0017	0.0017
Chlamydia trachomatis	DNA topoisomerase I	0.0459	0.3954	0.5
Schistosoma mansoni	hypothetical protein	0.0459	0.3954	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0163	0.1349	0.3412
Echinococcus multilocularis	zinc finger protein Ran binding	0.0163	0.1349	0.1349
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.092	0.8011	0.8011
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0459	0.3954	0.3954
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0017	0.0017
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0227	0.0534
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0459	0.3954	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0163	0.1349	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1349	0.3384
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1355	0.3399
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0017	0.0043
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0017	0.0017
Echinococcus multilocularis	SWI:SNF matrix associated	0.0459	0.3954	0.3954
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0305	0.0305
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0164	0.1355	0.3427
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0017	0.0043
Schistosoma mansoni	TRABID protein (C64 family)	0.0163	0.1349	0.3412
Onchocerca volvulus		0.0163	0.1349	0.3384
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0305	0.0305

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 0.1 mg kg-1	Antiallergic activity against reagin induced passive cutaneous anaphylaxis reaction in rats upon intravenous administration.	ChEMBL.	6767846
ED50 (functional)	= 10 mg kg-1	The compound was evaluated for antiallergic activity against reagin induced passive cutaneous anaphylaxis reaction in rats upon peroral administration,the dose at which the compound was tested and found inactive	ChEMBL.	6767846

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: CHEMBL89714
PubChem: 22752851

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 147383