TDR Targets

Basic information

Technical information

TDR Targets ID: 107904
Name: 3-(3,4-difluorophenyl)-6,7-dimethoxyquinoline
MW: 301.287 | Formula: C17H13F2NO2
H donors: 0 H acceptors: 1 LogP: 3.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2cc(cnc2cc1OC)c1ccc(c(c1)F)F
InChi: 1S/C17H13F2NO2/c1-21-16-7-11-5-12(9-20-15(11)8-17(16)22-2)10-3-4-13(18)14(19)6-10/h3-9H,1-2H3
InChiKey: RETQZWLIOAJIRM-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

3-(3,4-difluorophenyl)-6,7-dimethoxy-quinoline

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	platelet-derived growth factor receptor, beta polypeptide		References
Homo sapiens	platelet-derived growth factor receptor, alpha polypeptide	Starlite/ChEMBL	References

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	nuclear receptor subfamily 4 group A	0.0016	0.2136	0.2136
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.2136	0.2136
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0018	0.2978	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Brugia malayi	nuclear hormone receptor	0.0034	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2978	0.2978
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0034	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0018	0.2978	0.2978
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.2136	0.2136
Loa Loa (eye worm)	steroid hormone receptor	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2978	0.2978
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	1	1
Schistosoma mansoni	coup transcription factor	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0023	0.4852	0.4852
Brugia malayi	Nuclear hormone receptor E75	0.0016	0.2136	0.2136
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Brugia malayi	nuclear receptor RXR	0.0018	0.2978	0.2978
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.2723	0.2723
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	1	1
Brugia malayi	conserved hypotetical protein	0.0016	0.2136	0.2136
Brugia malayi	Steroid receptor seven-up type 2	0.0034	1	1
Brugia malayi	hypothetical protein	0.0016	0.2136	0.2136
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.2136	0.2136
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0016	0.2136	0.2136
Echinococcus granulosus	thyroid hormone receptor alpha	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0034	1	1
Onchocerca volvulus		0.0034	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	1	1
Schistosoma mansoni	tyrosine kinase	0.0014	0.1176	0.1176
Schistosoma mansoni	cell adhesion molecule	0.0015	0.1548	0.1548
Schistosoma mansoni	thyroid hormone receptor	0.0034	1	1
Echinococcus multilocularis	roundabout 2	0.0023	0.4852	0.4852
Echinococcus granulosus	neuroglian	0.0019	0.327	0.327
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.4852	0.4852
Schistosoma mansoni	nuclear hormone receptor	0.0016	0.2136	0.2136
Echinococcus granulosus	FTZ F1 alpha	0.0034	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	1	1
Echinococcus granulosus	roundabout 2	0.0023	0.4852	0.4852
Brugia malayi	hypothetical protein	0.0016	0.2136	0.2136
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	1	1
Brugia malayi	nuclear receptor NHR-88	0.0016	0.2136	0.2136
Loa Loa (eye worm)	nuclear hormone receptor	0.0016	0.2136	0.2136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.2978	0.2978
Brugia malayi	hypothetical protein	0.0018	0.2978	0.2978
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.1548	0.1548
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0016	0.2136	0.2136
Loa Loa (eye worm)	DR-78	0.0016	0.2136	0.2136
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0016	0.2136	0.2136
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0018	0.2978	0.2978
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Onchocerca volvulus	Bile acid receptor homolog	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0016	0.2136	0.2136
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2978	0.2978
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Schistosoma mansoni	zinc finger protein	0.0016	0.2136	0.2136
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0018	0.2978	0.2978
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0034	1	1
Onchocerca volvulus		0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0016	0.2136	0.2136
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.2136	0.2136
Brugia malayi	orphan nuclear receptor NR2E1	0.0016	0.2136	0.2136
Brugia malayi	hypothetical protein	0.0018	0.2978	0.2978
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	1	1
Onchocerca volvulus		0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2978	0.2978
Echinococcus multilocularis	nuclear receptor nhr 48	0.0016	0.2136	0.2136
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0018	0.2978	0.2978
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0016	0.2136	0.2136
Brugia malayi	nuclear hormone receptor	0.0016	0.2136	0.2136
Brugia malayi	tailless protein	0.0016	0.2136	0.2136
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0016	0.2136	0.2136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0034	1	1
Brugia malayi	nuclear receptor RXR	0.0016	0.2136	0.2136
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	1	1
Brugia malayi	nuclear receptor NHR-88	0.0034	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0016	0.2136	0.2136
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.2136	0.2136
Schistosoma mansoni	retinoic acid receptor RXR	0.0034	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0016	0.2136	0.2136
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0018	0.2723	0.2723
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Echinococcus multilocularis	neuroglian	0.0019	0.327	0.327
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0016	0.2136	0.2136
Schistosoma mansoni	nuclear receptor	0.0016	0.2136	0.2136
Brugia malayi	ecdysone receptor	0.0016	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2978	0.2978
Echinococcus granulosus	twitchin	0.0019	0.327	0.327
Brugia malayi	nuclear hormone receptor family member odr-7	0.0016	0.2136	0.2136
Brugia malayi	steroid hormone receptor	0.0034	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	1	1
Schistosoma mansoni	nephrin	0.0019	0.327	0.327
Schistosoma mansoni	nuclear receptor	0.0016	0.2136	0.2136
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.1548	0.1548
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0016	0.2136	0.2136
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	1	1
Brugia malayi	nuclear receptor NHR-67	0.0016	0.2136	0.2136
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0034	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0016	0.2136	0.2136
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0016	0.2136	0.2136
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.2978	0.2978
Schistosoma mansoni	nuclear hormone receptor	0.0034	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.2 uM	Inhibition of human PDGF receptor phosphorylation; 0.09-0.2	ChEMBL.	8035419
IC50 (binding)	= 0.2 uM	Inhibition of human PDGF receptor phosphorylation; 0.09-0.2	ChEMBL.	8035419
IC50 (binding)	> 20 uM	Concentration required to inhibit phosphorylation of isolated human epidermal growth factor tyrosine kinase receptor by 50%	ChEMBL.	8035419
IC50 (binding)	> 20 uM	Concentration required to inhibit phosphorylation of isolated human epidermal growth factor tyrosine kinase receptor by 50%	ChEMBL.	8035419

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: CHEMBL67424
PubChem: 10402592

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 107904