TDR Targets

Basic information

Technical information

TDR Targets ID: 1759742
Name: [4-[(E)-2-quinolin-4-ylethenyl]phenyl]urea
MW: 289.331 | Formula: C18H15N3O
H donors: 2 H acceptors: 2 LogP: 3.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)Nc1ccc(cc1)/C=C/c1ccnc2c1cccc2
InChi: 1S/C18H15N3O/c19-18(22)21-15-9-6-13(7-10-15)5-8-14-11-12-20-17-4-2-1-3-16(14)17/h1-12H,(H3,19,21,22)/b8-5+
InChiKey: UKYWSEGWWZMQDV-VMPITWQZSA-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

[4-(2-quinolin-4-ylethenyl)phenyl]urea
[4-[(E)-2-(4-quinolyl)vinyl]phenyl]urea
[4-[2-(4-quinolyl)vinyl]phenyl]urea
NSC268771

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
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0287	0.4919	0.6312
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0186	0.2926	0.5491
Brugia malayi	nuclear receptor NHR-88	0.0062	0.0476	0.0352
Echinococcus multilocularis	geminin	0.0166	0.2521	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0062	0.0476	0.1451
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0062	0.0476	0.0352
Brugia malayi	AMP-binding enzyme family protein	0.0268	0.4546	0.4475
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0304	0.5271	0.6776
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.2047	0.1943
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0231	0.381	0.4856
Schistosoma mansoni	methyltransferase-related	0.0086	0.0954	0.3448
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0	0.5
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0304	0.5271	0.6776
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0062	0.0476	0.1451
Loa Loa (eye worm)	beta-ketoacyl synthase domain-containing protein	0.0072	0.0669	0.0639
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0287	0.4919	0.6312
Brugia malayi	AMP-binding enzyme family protein	0.0088	0.0989	0.0871
Toxoplasma gondii	3-oxoacyl-acyl-carrier protein synthase I/II, putative	0.0072	0.0669	0.1153
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0062	0.0476	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Loa Loa (eye worm)	fatty acid synthase	0.0283	0.4843	0.5459
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0062	0.0476	0.1661
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0062	0.0476	0.0352
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative	0.0072	0.0669	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0062	0.0476	0.0352
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0062	0.0476	0.1661
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0069	0.0179
Mycobacterium ulcerans	polyketide synthase	0.0304	0.5271	0.6522
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0476	0.0352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0062	0.0476	0.0417
Schistosoma mansoni	3-oxoacyl-[ACP] synthase	0.0072	0.0669	0.2256
Schistosoma mansoni	nuclear hormone receptor	0.0062	0.0476	0.1451
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0062	0.0476	0.1661
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0062	0.0476	0.1451
Echinococcus multilocularis	FTZ F1 alpha	0.0062	0.0476	0.1451
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0062	0.0476	0.1451
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Schistosoma mansoni	thyroid hormone receptor	0.0062	0.0476	0.1451
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0184	0.2879	0.2671
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2424	0.2665
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.007	0.0631	0.0678
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0268	0.4546	0.5823
Echinococcus granulosus	3 oxoacyl acyl carrier protein synthase	0.0072	0.0669	0.2446
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0062	0.0476	0.1451
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0234	0.3885	0.4954
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0116	0.1539	0.1871
Mycobacterium tuberculosis	Hypothetical protein	0.0086	0.0954	0.1102
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0231	0.381	0.4452
Brugia malayi	steroid hormone receptor	0.0062	0.0476	0.0352
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0287	0.4919	0.6023
Schistosoma mansoni	RAR-like nuclear receptor	0.0062	0.0476	0.1451
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0062	0.0476	0.1661
Brugia malayi	Steroid receptor seven-up type 2	0.0062	0.0476	0.0352
Schistosoma mansoni	hypothetical protein	0.0166	0.2521	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0304	0.5271	0.6522
Brugia malayi	nuclear hormone receptor	0.0062	0.0476	0.0352
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0428	0.7725	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0062	0.0476	0.0352
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0062	0.0476	0.1451
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0304	0.5271	0.6776
Plasmodium falciparum	3-oxoacyl-acyl-carrier protein synthase I/II	0.0072	0.0669	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0062	0.0476	0.0352
Giardia lamblia	Methyltransferase like 2	0.0086	0.0954	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0062	0.0476	0.1661
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.2047	0.8019
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0129	0.0246
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0099	0.1195	0.1419
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0163	0.247	0.3095
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0062	0.0476	0.0352
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0239	0.3973	0.5069
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0062	0.0476	0.0352
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0287	0.4919	0.6023
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.1969	0.7747
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0062	0.0476	0.1451
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0287	0.4919	0.6312
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0062	0.0476	0.1661
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0145	0.2112	0.3928
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0062	0.0476	0.0352
Toxoplasma gondii	type I fatty acid synthase, putative	0.0204	0.3284	0.618
Echinococcus granulosus	FTZ F1 alpha	0.0062	0.0476	0.1661
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0062	0.0476	0.0352
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0072	0.0669	0.5
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0287	0.4919	0.6312
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0268	0.4546	0.5116
Mycobacterium ulcerans	polyketide synthase Pks9	0.019	0.2997	0.3299
Schistosoma mansoni	thyroid hormone receptor	0.0062	0.0476	0.1451
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.2047	0.8019
Chlamydia trachomatis	3-oxoacyl-ACP synthase	0.0072	0.0669	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0062	0.0476	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0184	0.2879	0.3191
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0088	0.0989	0.1149
Mycobacterium ulcerans	fatty acid synthase Fas	0.009	0.1027	0.0508
Onchocerca volvulus	Fatty acid synthase homolog	0.0517	0.9474	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0062	0.0476	0.1661
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0062	0.0476	0.0352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0062	0.0476	0.0417
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0428	0.7725	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.019	0.2997	0.3299
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0072	0.0669	0.5
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.019	0.2997	0.3787
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0278	0.4745	0.6084
Brugia malayi	Methyltransferase-like protein 4	0.0086	0.0954	0.0836
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0062	0.0476	0.0352
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0287	0.4919	0.6023
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0304	0.5271	0.6522
Brugia malayi	ecdysteroid receptor	0.0062	0.0476	0.0352
Loa Loa (eye worm)	acetyltransferase	0.0142	0.2047	0.2231
Brugia malayi	N-terminal motif family protein	0.0184	0.2879	0.2786
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0287	0.4919	0.6312
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0062	0.0476	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0062	0.0476	0.1451
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0062	0.0476	0.0352
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0062	0.0476	0.1661
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0062	0.0476	0.1451
Mycobacterium tuberculosis	Conserved protein	0.0086	0.0954	0.1102
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0062	0.0476	0.1451
Schistosoma mansoni	coup transcription factor	0.0062	0.0476	0.1451
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0287	0.4919	0.6023
Toxoplasma gondii	type I fatty acid synthase, putative	0.0304	0.5271	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0062	0.0476	0.1451
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0041	0.0058	0.0863
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0287	0.4919	0.4853
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.02	0.0098
Mycobacterium ulcerans	thioesterase TesA	0.0239	0.3973	0.4682
Mycobacterium ulcerans	thioesterase	0.0239	0.3973	0.4682
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0206	0.3321	0.4212
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0062	0.0476	0.1451
Toxoplasma gondii	type I fatty acid synthase	0.0044	0.0115	0.0089
Schistosoma mansoni	retinoic acid receptor RXR	0.0062	0.0476	0.1451
Mycobacterium ulcerans	polyketide synthase Pks13	0.0428	0.7725	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0062	0.0476	0.0417
Onchocerca volvulus		0.0268	0.4546	0.4524
Mycobacterium ulcerans	polyketide synthase	0.0287	0.4919	0.6023
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0304	0.5271	0.6776
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0278	0.4745	0.6084
Schistosoma mansoni	hypothetical protein	0.0166	0.2521	1
Leishmania major	hypothetical protein, conserved	0.0086	0.0954	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.02	0.0098
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0072	0.0669	0.5
Mycobacterium ulcerans	polyketide synthase MbtD	0.0088	0.0989	0.0454
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0231	0.381	0.4452
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0239	0.3973	0.5069
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0062	0.0476	0.0352
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0954	1
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.009	0.1027	0.1198
Onchocerca volvulus		0.0499	0.9121	0.9608
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0072	0.0669	0.0547
Trypanosoma brucei	beta-ketoacyl-ACP synthase	0.0072	0.0669	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0062	0.0476	0.0417
Echinococcus multilocularis	ecdysone induced protein 78C	0.0062	0.0476	0.1451
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0129	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0129	0.0016
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.02	0.0072
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0062	0.0476	0.1451
Echinococcus multilocularis	3 oxoacyl (acyl carrier protein) synthase	0.0072	0.0669	0.2256
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0062	0.0476	0.0417
Mycobacterium leprae	PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE)	0.009	0.1027	0.1198
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0304	0.5271	0.6776
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0062	0.0476	0.1451
Loa Loa (eye worm)	steroid hormone receptor	0.0062	0.0476	0.0417
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.02	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0481	0.8777	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Echinococcus granulosus	geminin	0.0166	0.2521	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0476	0.0417
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0304	0.5271	0.6776
Mycobacterium leprae	Polyketide synthase Pks13	0.0428	0.7725	1
Loa Loa (eye worm)	acyl carrier protein	0.0132	0.1854	0.2007

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (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: CHEMBL2354563

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1759742