TDR Targets

Basic information

Technical information

TDR Targets ID: 104311
Name: 1-(2,4-difluorophenyl)-3-(4-phenyl-6-propan-2 -ylquinolin-3-yl)urea
MW: 417.451 | Formula: C25H21F2N3O
H donors: 2 H acceptors: 2 LogP: 5.71 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cnc2c(c1c1ccccc1)cc(cc2)C(C)C)Nc1ccc(cc1F)F
InChi: 1S/C25H21F2N3O/c1-15(2)17-8-10-21-19(12-17)24(16-6-4-3-5-7-16)23(14-28-21)30-25(31)29-22-11-9-18(26)13-20(22)27/h3-15H,1-2H3,(H2,29,30,31)
InChiKey: VIZIRRGEWAWHIQ-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

1-(2,4-difluorophenyl)-3-(6-isopropyl-4-phenyl-3-quinolyl)urea
1-(2,4-difluorophenyl)-3-(4-phenyl-6-propan-2-yl-quinolin-3-yl)urea
3-(2,4-difluorophenyl)-1-(4-phenyl-6-propan-2-ylquinolin-3-yl)urea
3-(2,4-difluorophenyl)-1-(6-isopropyl-4-phenyl-3-quinolyl)urea
3-(2,4-difluorophenyl)-1-(4-phenyl-6-propan-2-yl-quinolin-3-yl)urea

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
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.005	0.2066	0.2066
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Loa Loa (eye worm)	leucine Rich Repeat family protein	0.008	0.6115	0.5104
Leishmania major	beta tubulin	0.011	1	1
Leishmania major	beta tubulin	0.011	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0083	0.6486	0.4753
Toxoplasma gondii	beta-tubulin, putative	0.011	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0083	0.6486	0.4753
Loa Loa (eye worm)	tubulin beta chain	0.011	1	1
Echinococcus granulosus	tubulin alpha chain	0.0083	0.6486	0.4753
Brugia malayi	tubulin alpha-2 chain	0.0083	0.6486	0.6486
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Loa Loa (eye worm)	alpha-tubulin	0.0083	0.6486	0.5571
Brugia malayi	Tubulin alpha-2 chain	0.0083	0.6486	0.6486
Leishmania major	beta tubulin	0.011	1	1
Echinococcus granulosus	tubulin alpha	0.006	0.3392	0.0132
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Trypanosoma brucei	epsilon tubulin	0.006	0.3392	0.3392
Loa Loa (eye worm)	tubulin alpha chain	0.0083	0.6486	0.5571
Trypanosoma brucei	epsilon tubulin	0.006	0.3392	0.3392
Leishmania major	beta tubulin	0.011	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.011	1	1
Echinococcus granulosus	tubulin subunit beta	0.011	1	1
Echinococcus granulosus	tubulin alpha chain	0.0083	0.6486	0.4753
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Leishmania major	beta tubulin	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Loa Loa (eye worm)	tubulin beta-4 chain	0.011	1	1
Leishmania major	beta tubulin	0.011	1	1
Echinococcus multilocularis	hypothetical protein	0.0083	0.6486	0.4753
Echinococcus granulosus	tubulin alpha chain	0.0083	0.6486	0.4753
Giardia lamblia	Alpha-tubulin	0.0083	0.6486	0.4682
Echinococcus granulosus	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	beta tubulin	0.011	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0083	0.6486	0.4753
Leishmania major	beta tubulin	0.011	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Echinococcus granulosus	Tubulin beta 2C chain	0.011	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Trichomonas vaginalis	tubulin epsilon chain, putative	0.011	1	1
Echinococcus granulosus	tubulin subunit TubB	0.0083	0.6486	0.4753
Trypanosoma brucei	alpha tubulin	0.0083	0.6486	0.6486
Leishmania major	beta tubulin	0.011	1	1
Schistosoma mansoni	alpha tubulin	0.0083	0.6486	0.4753
Toxoplasma gondii	beta tubulin	0.011	1	1
Trypanosoma brucei	epsilon tubulin	0.006	0.3392	0.3392
Trypanosoma brucei	beta tubulin	0.006	0.3392	0.3392
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0083	0.6486	0.6486
Loa Loa (eye worm)	tubulin alpha 2	0.0057	0.3094	0.1296
Echinococcus granulosus	peroxisome assembly protein 26	0.0083	0.6486	0.4753
Echinococcus multilocularis	peroxisome assembly protein 26	0.0083	0.6486	0.4753
Loa Loa (eye worm)	alpha-tubulin	0.0083	0.6486	0.5571
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0083	0.6486	0.5571
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Echinococcus granulosus	alpha tubulin	0.0083	0.6486	0.4753
Schistosoma mansoni	tubulin subunit epsilon	0.006	0.3392	0.0132
Echinococcus multilocularis	tubulin alpha 1C chain	0.0083	0.6486	0.4753
Trypanosoma brucei	beta tubulin	0.011	1	1
Leishmania major	beta tubulin	0.011	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0083	0.6486	0.4753
Leishmania major	beta tubulin	0.011	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.011	1	1
Echinococcus multilocularis	beta tubulin	0.011	1	1
Giardia lamblia	Beta tubulin	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Plasmodium falciparum	alpha tubulin 1	0.0083	0.6486	0.4682
Echinococcus multilocularis	beta tubulin	0.011	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0083	0.6486	0.4753
Trichomonas vaginalis	tubulin gamma chain, putative	0.006	0.3392	0.3392
Echinococcus granulosus	tubulin epsilon chain	0.006	0.3392	0.0132
Leishmania major	beta tubulin	0.011	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.006	0.3392	0.0132
Echinococcus multilocularis	tubulin alpha	0.006	0.3392	0.0132
Trypanosoma brucei	alpha tubulin	0.0083	0.6486	0.6486
Echinococcus multilocularis	Tubulin beta 2C chain	0.011	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0083	0.6486	0.4753
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0057	0.3094	0.1296
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Echinococcus granulosus	tubulin beta 1 chain	0.011	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0083	0.6486	0.4753
Brugia malayi	beta-tubulin, identical	0.011	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.011	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.011	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0083	0.6486	0.4753
Trypanosoma brucei	beta tubulin	0.011	1	1
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0083	0.6486	0.4753
Brugia malayi	Tubulin alpha chain	0.0083	0.6486	0.6486
Trypanosoma brucei	beta tubulin	0.011	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Brugia malayi	Tubulin gamma chain	0.006	0.3392	0.3392
Giardia lamblia	Beta tubulin	0.011	1	1
Trypanosoma brucei	alpha tubulin	0.0083	0.6486	0.6486
Echinococcus multilocularis	tubulin alpha 1C chain	0.0083	0.6486	0.4753
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0083	0.6486	0.4753
Plasmodium falciparum	tubulin beta chain	0.011	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Trichomonas vaginalis	tubulin beta chain, putative	0.011	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0083	0.6486	0.4753
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0057	0.3094	0.3094
Plasmodium vivax	tubulin alpha chain, putative	0.0083	0.6486	0.4682
Echinococcus multilocularis	tubulin subunit beta	0.011	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.011	1	1
Entamoeba histolytica	tubulin family protein	0.011	1	1
Brugia malayi	alpha-tubulin	0.0083	0.6486	0.6486
Brugia malayi	tubulin alpha chain - mouse	0.0083	0.6486	0.6486
Toxoplasma gondii	alpha tubulin TUBA1	0.0083	0.6486	0.4682
Brugia malayi	Tubulin alpha-2 chain	0.0083	0.6486	0.6486
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0083	0.6486	0.6486
Trichomonas vaginalis	tubulin gamma chain, putative	0.006	0.3392	0.3392
Toxoplasma gondii	beta-1 tubulin, putative	0.011	1	1
Echinococcus multilocularis	tubulin beta 1 chain	0.011	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	beta tubulin	0.011	1	1
Loa Loa (eye worm)	BEN-1 protein	0.011	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0083	0.6486	0.4682
Giardia lamblia	Beta tubulin	0.011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.6486	0.5571
Echinococcus multilocularis	tubulin alpha 3 chain	0.0083	0.6486	0.4753
Echinococcus multilocularis	Tubulin beta 2C chain	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Schistosoma mansoni	alpha tubulin	0.0083	0.6486	0.4753
Plasmodium vivax	tubulin alpha chain, putative	0.0083	0.6486	0.4682
Trypanosoma brucei	beta tubulin	0.011	1	1
Echinococcus granulosus	tubulin alpha chain	0.0083	0.6486	0.4753
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Entamoeba histolytica	tubulin family protein	0.011	1	1
Leishmania major	beta tubulin	0.011	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0083	0.6486	0.6486
Entamoeba histolytica	tubulin alpha-1 chain	0.0083	0.6486	0.4682
Echinococcus multilocularis	tubulin alpha chain	0.0083	0.6486	0.4753
Leishmania major	beta tubulin	0.011	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.011	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Loa Loa (eye worm)	tubulin beta-2A chain	0.011	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0083	0.6486	0.4753
Trypanosoma brucei	tubulin gamma chain	0.006	0.3392	0.3392
Echinococcus multilocularis	tubulin epsilon chain	0.006	0.3392	0.0132
Loa Loa (eye worm)	tubulin alpha chain	0.0083	0.6486	0.5571
Onchocerca volvulus		0.0034	0	0.5
Trichomonas vaginalis	tubulin, putative	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Loa Loa (eye worm)	tubulin alpha 2	0.0057	0.3094	0.1296
Leishmania major	beta tubulin	0.011	1	1
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Echinococcus multilocularis	tubulin gamma 1 chain	0.006	0.3392	0.0132
Trypanosoma cruzi	alpha tubulin, putative	0.0083	0.6486	0.4682
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Echinococcus granulosus	Tubulin alpha 1 chain	0.0083	0.6486	0.4753
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Trypanosoma brucei	alpha tubulin	0.0083	0.6486	0.6486
Trichomonas vaginalis	tubulin alpha chain, putative	0.011	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.006	0.3392	0.3392
Trichomonas vaginalis	tubulin beta chain, putative	0.0083	0.6486	0.6486
Loa Loa (eye worm)	tubulin gamma chain	0.006	0.3392	0.1672
Leishmania major	alpha tubulin	0.0083	0.6486	0.4682
Plasmodium vivax	tubulin beta chain, putative	0.011	1	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.3094	0.1296
Plasmodium falciparum	alpha tubulin 2	0.0083	0.6486	0.4682
Trypanosoma cruzi	beta tubulin, putative	0.011	1	1
Loa Loa (eye worm)	beta-tubulin	0.011	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.011	1	1
Loa Loa (eye worm)	BEN-1 protein	0.011	1	1
Leishmania major	beta tubulin	0.011	1	1
Giardia lamblia	Alpha-tubulin	0.0083	0.6486	0.4682
Leishmania major	beta tubulin	0.011	1	1
Schistosoma mansoni	tubulin subunit beta	0.011	1	1
Echinococcus granulosus	tubulin alpha chain	0.0083	0.6486	0.4753
Leishmania major	beta tubulin	0.011	1	1
Schistosoma mansoni	tubulin subunit gamma	0.006	0.3392	0.0132
Schistosoma mansoni	alpha tubulin	0.0083	0.6486	0.4753
Echinococcus multilocularis	tubulin alpha chain	0.0083	0.6486	0.4753
Entamoeba histolytica	tubulin alpha chain, putative	0.0083	0.6486	0.4682
Leishmania major	beta tubulin	0.011	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 91.6 %	Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase at 10 e-6 M in rat microsomes	ChEMBL.	8027989
Inhibition (binding)	= 91.6 %	Inhibitory activity against acyl coenzyme A:cholesterol acyltransferase at 10 e-6 M in rat microsomes	ChEMBL.	8027989

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: 10093409

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 104311