TDR Targets

Basic information

Technical information

TDR Targets ID: 444912
Name: 10,11-dimethoxyquinolino[3,4-c]quinoline
MW: 290.316 | Formula: C18H14N2O2
H donors: 0 H acceptors: 2 LogP: 3.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)ncc1c2c2ccccc2nc1
InChi: 1S/C18H14N2O2/c1-21-16-7-13-15(8-17(16)22-2)20-10-11-9-19-14-6-4-3-5-12(14)18(11)13/h3-10H,1-2H3
InChiKey: MYPDPFGUWAWZKF-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	3-phosphoinositide dependent protein kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128785	All targets in OG5_128785
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Loa Loa (eye worm)	AGC/PDK1 protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	Get druggable targets OG5_128785	All targets in OG5_128785
Candida albicans	similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade	Get druggable targets OG5_128785	All targets in OG5_128785
Loa Loa (eye worm)	AGC/PDK1 protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Candida albicans	similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	Get druggable targets OG5_128785	All targets in OG5_128785
Schistosoma japonicum	ko:K06276 3-phosphoinositide dependent protein kinase-1, putative	Get druggable targets OG5_128785	All targets in OG5_128785
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_128785	All targets in OG5_128785
Brugia malayi	phosphoinositide-dependent protein kinase I	Get druggable targets OG5_128785	All targets in OG5_128785
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785

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	histone lysine methyltransferase setb	0.0034	0.0142	0.021
Brugia malayi	Nuclear hormone receptor-like 1	0.0322	0.3294	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0152	0.143	0.421
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0322	0.3294	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0322	0.3294	1
Brugia malayi	tailless protein	0.0152	0.143	0.434
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.0028	0.0074	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0273	0.2755	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Echinococcus multilocularis	muscleblind protein	0.0172	0.165	0.1588
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0322	0.3294	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0322	0.3294	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0152	0.143	0.421
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0322	0.3294	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0322	0.3294	1
Mycobacterium ulcerans	glutaminase	0.0259	0.2607	1
Onchocerca volvulus		0.0152	0.143	0.4086
Brugia malayi	Nuclear hormone receptor-like 1	0.017	0.1629	0.4946
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0128	0.0167
Mycobacterium tuberculosis	Conserved protein	0.0028	0.0074	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0152	0.143	0.421
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1629	0.4946
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0152	0.143	0.4086
Brugia malayi	Nuclear hormone receptor-like 1	0.017	0.1629	0.4946
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0059	0.0409	0.0338
Trypanosoma cruzi	hypothetical protein, conserved	0.0245	0.245	1
Leishmania major	hypothetical protein, conserved	0.0245	0.245	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0322	0.3294	0.3244
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	nuclear hormone receptor	0.0152	0.143	0.434
Schistosoma mansoni	nuclear receptor	0.0152	0.143	0.4086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0322	0.3294	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0152	0.143	0.1366
Loa Loa (eye worm)	nuclear hormone receptor	0.0152	0.143	0.434
Loa Loa (eye worm)	steroid hormone receptor	0.0322	0.3294	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Schistosoma mansoni	retinoic acid receptor RXR	0.0322	0.3294	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0322	0.3294	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0322	0.3294	0.3244
Trypanosoma brucei	hypothetical protein, conserved	0.0245	0.245	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0322	0.3294	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.017	0.1629	0.4946
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.017	0.1629	0.483
Schistosoma mansoni	nuclear hormone receptor	0.0322	0.3294	1
Trichomonas vaginalis	AGC family protein kinase	0.0059	0.0409	0.1251
Schistosoma mansoni	nuclear receptor	0.0152	0.143	0.4086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0322	0.3294	1
Entamoeba histolytica	protein kinase, putative	0.0059	0.0409	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0322	0.3294	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0043	0.024	0.073
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0152	0.143	0.434
Echinococcus granulosus	ecdysone induced protein 78C	0.0322	0.3294	1
Plasmodium vivax	SET domain protein, putative	0.0034	0.0142	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0059	0.0409	0.1251
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.024	0.0168
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0322	0.3294	1
Brugia malayi	Protein kinase domain containing protein	0.0059	0.0409	0.1243
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.024	0.0517
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0152	0.143	0.1366
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.024	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.165	0.5009
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Brugia malayi	Pre-SET motif family protein	0.0034	0.0142	0.043
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.024	0.0314
Loa Loa (eye worm)	hypothetical protein	0.017	0.1629	0.4946
Brugia malayi	ecdysone receptor	0.0152	0.143	0.434
Schistosoma mansoni	zinc finger protein	0.0152	0.143	0.4086
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0152	0.143	0.434
Onchocerca volvulus		0.0273	0.2755	0.8288
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0322	0.3294	0.3244
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0152	0.143	0.1366
Brugia malayi	nuclear receptor NHR-88	0.0152	0.143	0.434
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0059	0.0409	0.1041
Echinococcus multilocularis	nuclear receptor nhr 48	0.0152	0.143	0.1366
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0043	0.024	0.073
Schistosoma mansoni	thyroid hormone receptor	0.0322	0.3294	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0152	0.143	0.4086
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0152	0.143	0.421
Schistosoma mansoni	coup transcription factor	0.0322	0.3294	1
Onchocerca volvulus		0.0152	0.143	0.4086
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0152	0.143	0.1366
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	steroid hormone receptor	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0322	0.3294	0.3244
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0152	0.143	0.4086
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0142	0.0068
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0152	0.143	0.4086
Brugia malayi	orphan nuclear receptor NR2E1	0.0152	0.143	0.434
Onchocerca volvulus	Bile acid receptor homolog	0.0322	0.3294	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0322	0.3294	1
Brugia malayi	Nuclear hormone receptor E75	0.0152	0.143	0.434
Brugia malayi	nuclear hormone receptor family member odr-7	0.0152	0.143	0.434
Echinococcus multilocularis	muscleblind protein 1	0.0172	0.165	0.1588
Brugia malayi	photoreceptor-specific nuclear receptor	0.0322	0.3294	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0322	0.3294	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0322	0.3294	1
Schistosoma mansoni	thyroid hormone receptor	0.0322	0.3294	1
Trichomonas vaginalis	AGC family protein kinase	0.0059	0.0409	0.1251
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0322	0.3294	1
Loa Loa (eye worm)	glutaminase 2	0.0259	0.2607	0.7915
Loa Loa (eye worm)	hypothetical protein	0.0172	0.165	0.5009
Brugia malayi	conserved hypotetical protein	0.0152	0.143	0.434
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0142	0.0068
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0152	0.143	0.434
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0322	0.3294	0.3244
Brugia malayi	nuclear hormone receptor	0.0322	0.3294	1
Brugia malayi	nuclear receptor RXR	0.0152	0.143	0.434
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.024	0.0314
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.017	0.1629	0.4719
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0322	0.3294	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0322	0.3294	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0152	0.143	0.421
Brugia malayi	nuclear receptor NHR-88	0.0322	0.3294	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0152	0.143	0.434
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0059	0.0409	0.1243
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0322	0.3294	1
Echinococcus granulosus	FTZ F1 alpha	0.0322	0.3294	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0322	0.3294	0.3244
Onchocerca volvulus		0.0322	0.3294	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0322	0.3294	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0322	0.3294	1
Brugia malayi	glutaminase DH11.1	0.0259	0.2607	0.7915
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0142	0.043
Brugia malayi	hypothetical protein	0.017	0.1629	0.4946
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Trypanosoma cruzi	hypothetical protein, conserved	0.0245	0.245	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0152	0.143	0.421
Brugia malayi	nuclear receptor NHR-67	0.0152	0.143	0.434
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0322	0.3294	0.3244
Echinococcus granulosus	muscleblind protein	0.0172	0.165	0.4895
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0322	0.3294	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0322	0.3294	1
Brugia malayi	Steroid receptor seven-up type 2	0.0322	0.3294	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0322	0.3294	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0322	0.3294	1
Loa Loa (eye worm)	glutaminase	0.0259	0.2607	0.7915
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.024	0.2392	0.726
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.017	0.1629	0.1567
Echinococcus multilocularis	FTZ F1 alpha	0.0322	0.3294	0.3244
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1629	0.4946
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.024	0.0314
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0142	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0152	0.143	0.434
Echinococcus multilocularis	ecdysone induced protein 78C	0.0322	0.3294	0.3244
Schistosoma mansoni	nuclear hormone receptor	0.0152	0.143	0.4086
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0152	0.143	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1629	0.4946
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0059	0.0409	0.1243
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0409	0.085
Brugia malayi	Muscleblind-like protein	0.0172	0.165	0.5009
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0322	0.3294	1
Brugia malayi	hypothetical protein	0.017	0.1629	0.4946
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.024	0.0517
Loa Loa (eye worm)	DR-78	0.0152	0.143	0.434
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.017	0.1629	0.4719
Schistosoma mansoni	glutaminase	0.0259	0.2607	0.7821
Schistosoma mansoni	nuclear hormone receptor	0.0152	0.143	0.4086
Schistosoma mansoni	nuclear receptor nhr-48	0.0152	0.143	0.4086
Brugia malayi	Pre-SET motif family protein	0.024	0.2392	0.726
Brugia malayi	nuclear receptor RXR	0.017	0.1629	0.4946
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0059	0.0409	0.1243
Brugia malayi	ecdysteroid receptor	0.0322	0.3294	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0322	0.3294	1
Trichomonas vaginalis	glutaminase, putative	0.0259	0.2607	0.9451
Loa Loa (eye worm)	hypothetical protein	0.0152	0.143	0.434
Brugia malayi	hypothetical protein	0.0152	0.143	0.434
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0322	0.3294	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0322	0.3294	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1629	0.4946

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.45 uM	Inhibition of PDK1	ChEMBL.	17941624
IC50 (binding)	= 7.45 uM	Inhibition of PDK1	ChEMBL.	17941624

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

PubChem: 17754724

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 444912