TDR Targets

Basic information

Technical information

TDR Targets ID: 1211498
Name: 3-(2-fluorophenyl)-1-[4-(morpholin-4-ylmethyl )phenyl]thiourea
MW: 345.434 | Formula: C18H20FN3OS
H donors: 1 H acceptors: 0 LogP: 3.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: SC(=Nc1ccccc1F)Nc1ccc(cc1)CN1CCOCC1
InChi: 1S/C18H20FN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-15-7-5-14(6-8-15)13-22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24)
InChiKey: CVSXQUPVIJEQLG-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-(2-fluorophenyl)-1-[4-(morpholinomethyl)phenyl]thiourea
MLS000689569
N-(2-fluorophenyl)-N'-[4-(morpholin-4-ylmethyl)phenyl]thiourea
SMR000311607

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

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	cadherin EGF LAG seven pass G type receptor	0.0015	0.0218	0.0356
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1806	0.1806
Onchocerca volvulus		0.0015	0.0212	0.0212
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3173	0.5191
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0015	0.0218	0.0356
Onchocerca volvulus		0.0015	0.0212	0.0212
Echinococcus multilocularis	serotonin transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0218	0.0218
Brugia malayi	hypothetical protein	0.0015	0.0212	0.0212
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0218	0.0356
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0078	0.3232	0.3232
Onchocerca volvulus		0.0015	0.0212	0.0212
Echinococcus multilocularis	p2X purinoceptor 4	0.0137	0.6112	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3173	0.3173
Echinococcus granulosus	p2X purinoceptor 4	0.0137	0.6112	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0218	0.0218
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Toxoplasma gondii	hypothetical protein	0.0015	0.0212	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0078	0.3232	0.5288
Schistosoma mansoni	hypothetical protein	0.0015	0.0218	0.0356
Toxoplasma gondii	hypothetical protein	0.0015	0.0212	1
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0218	0.0218
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3173	0.5191
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	1
Plasmodium vivax	amine transporter, putative	0.0015	0.0212	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Echinococcus granulosus	GPCR family 2	0.0015	0.0218	0.0356
Brugia malayi	TAR-binding protein	0.0076	0.3173	0.3173
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0078	0.3232	0.3232
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0015	0.0212	0.0347
Onchocerca volvulus		0.0015	0.0212	0.0212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.179	0.2929
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.179	0.179
Schistosoma mansoni	P2X receptor subunit	0.0137	0.6112	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0015	0.0212	0.0212
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0218	0.0218
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0218	0.0356
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3173	0.3173
Loa Loa (eye worm)	hypothetical protein	0.0078	0.3232	0.3232
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0218	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.179	0.2929
Echinococcus granulosus	serotonin transporter	0.0015	0.0212	0.0347
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0015	0.0212	0.0347
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0078	0.3232	0.5288
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3173	0.5191
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0218	0.0356
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	0.0212
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3173	0.3173
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0078	0.3232	0.5288
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3173	0.3173
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1806	0.1806
Echinococcus granulosus	sodium and chloride dependent glycine	0.0078	0.3232	0.5288
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0015	0.0212	0.0347
Treponema pallidum	sodium- and chloride- dependent transporter	0.0015	0.0212	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0218	0.0356
Loa Loa (eye worm)	norepinephrine transporter	0.0015	0.0212	0.0212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.179	0.2929
Schistosoma mansoni	P2X receptor subunit	0.0137	0.6112	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0015	0.0212	0.5
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0015	0.0212	0.0347
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	0.0212
Brugia malayi	RNA binding protein	0.0076	0.3173	0.3173
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1071	0.1071
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.179	0.179
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0218	0.0356
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1806	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Echinococcus granulosus	p2X purinoceptor 4	0.0137	0.6112	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0078	0.3232	0.5288
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3173	0.5191
Schistosoma mansoni	hypothetical protein	0.0015	0.0218	0.0356
Loa Loa (eye worm)	serotonin transporter b	0.0015	0.0212	0.0212
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Schistosoma mansoni	hypothetical protein	0.0033	0.1071	0.1752
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	1
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0015	0.0212	0.0347
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3173	0.5191
Schistosoma mansoni	P2X receptor subunit	0.0137	0.6112	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3173	0.5191
Schistosoma mansoni	P2X receptor subunit	0.0137	0.6112	1
Plasmodium vivax	hypothetical protein, conserved	0.0015	0.0212	0.5
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0015	0.0212	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.179	0.2929
Plasmodium falciparum	amino acid transporter, putative	0.0015	0.0212	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0015	0.0212	0.0212
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.179	0.2929
Schistosoma mansoni	sodium/chloride dependent transporter	0.0078	0.3232	0.5288
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0015	0.0212	0.0347
Schistosoma mansoni	sodium/chloride dependent transporter	0.0015	0.0212	0.0347
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0078	0.3232	0.3232
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0212	0.0212
Plasmodium falciparum	transporter, putative	0.0015	0.0212	0.5
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0015	0.0212	0.0347
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.179	0.2929
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0015	0.0212	0.0212
Echinococcus multilocularis	p2X purinoceptor 4	0.0137	0.6112	1
Echinococcus granulosus	p2X purinoceptor 4	0.0137	0.6112	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.179	0.2929
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0015	0.0212	0.0347
Echinococcus multilocularis	p2X purinoceptor 4	0.0137	0.6112	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1806	0.1806
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3173	0.5191
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0015	0.0212	0.0347

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 68.38 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1323206

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 1211498