TDR Targets

Basic information

Technical information

TDR Targets ID: 352327
Name: 4-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-2-a mine
MW: 218.25 | Formula: C11H7FN2S
H donors: 1 H acceptors: 1 LogP: 2.76 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C#Cc1csc(n1)N
InChi: 1S/C11H7FN2S/c12-9-3-1-2-8(6-9)4-5-10-7-15-11(13)14-10/h1-3,6-7H,(H2,13,14)
InChiKey: XTUCFPVDIBJRML-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

4-[2-(3-fluorophenyl)ethynyl]thiazol-2-amine
4-[2-(3-fluorophenyl)ethynyl]-2-thiazolamine
[4-[2-(3-fluorophenyl)ethynyl]thiazol-2-yl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutamate receptor, metabotropic 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus granulosus	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	Metabotropic glutamate receptor precursor, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	ko:K04606 glutamate receptor, metabotropic 3, putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 5	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma mansoni	metabotropic glutamate receptor	Get druggable targets OG5_127095	All targets in OG5_127095
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	Get druggable targets OG5_127095	All targets in OG5_127095
Echinococcus multilocularis	metabotropic glutamate receptor 2	Get druggable targets OG5_127095	All targets in OG5_127095
Brugia malayi	Metabotropic glutamate receptor precursor.	Get druggable targets OG5_127095	All targets in OG5_127095

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	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0265	0.7876	1
Brugia malayi	ABC transporter transmembrane region family protein	0.012	0.2789	0.2703
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0125	0.2942	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0265	0.7876	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0326	1	1
Brugia malayi	hypothetical protein	0.0125	0.2942	0.2858
Loa Loa (eye worm)	hypothetical protein	0.0265	0.7876	0.7815
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0279	0.0163
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0265	0.7876	0.7876
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0265	0.7876	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0201	0.5619	0.5619
Leishmania major	pentamidine resistance protein 1	0.0326	1	1
Onchocerca volvulus		0.0265	0.7876	0.5
Schistosoma mansoni	multidrug resistance protein	0.0326	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0145	0.3648	0.3648
Echinococcus multilocularis	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0326	1	1
Schistosoma mansoni	multidrug resistance protein	0.012	0.2789	0.2789
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0265	0.7876	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Echinococcus granulosus	multidrug resistance associated protein 7	0.0326	1	1
Echinococcus granulosus	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0326	1	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Entamoeba histolytica	P-glycoprotein 5, putative	0.0265	0.7876	0.7054
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Brugia malayi	ABC transporter transmembrane region family protein	0.0125	0.2942	0.2858
Schistosoma mansoni	multidrug resistance protein	0.0265	0.7876	0.7876
Trichomonas vaginalis	ABC transporter, putative	0.0265	0.7876	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0265	0.7876	0.7876
Giardia lamblia	Multidrug resistance-associated protein 1	0.0321	0.9847	0.9788
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0125	0.2942	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0326	1	1
Loa Loa (eye worm)	ABC transporter	0.0125	0.2942	0.2739
Brugia malayi	P-glycoprotein-like protein	0.0125	0.2942	0.2858
Echinococcus granulosus	multidrug resistance protein 1	0.0145	0.3648	0.3648
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0125	0.2942	0.5
Echinococcus multilocularis	ATP binding cassette sub family B	0.0261	0.7723	0.7723
Plasmodium falciparum	multidrug resistance protein 1	0.0265	0.7876	1
Loa Loa (eye worm)	ABC transporter	0.0125	0.2942	0.2739
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Trichomonas vaginalis	abcb9, putative	0.0265	0.7876	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0265	0.7876	1
Leishmania major	p-glycoprotein e	0.0326	1	1
Brugia malayi	ABC transporter family protein	0.0125	0.2942	0.2858
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0265	0.7876	0.7876
Brugia malayi	ABC transporter family protein	0.0125	0.2942	0.2858
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0125	0.2942	0.2942
Giardia lamblia	Multidrug resistance-associated protein 1	0.0326	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0265	0.7876	0.699
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0205	0.5772	0.5651
Schistosoma mansoni	multidrug resistance protein	0.0265	0.7876	0.7876
Echinococcus multilocularis	multidrug resistance protein 1	0.0145	0.3648	0.3648
Schistosoma mansoni	smdr1	0.0125	0.2942	0.2942
Entamoeba histolytica	P-glycoprotein-2	0.0265	0.7876	0.7054
Entamoeba histolytica	P-glycoprotein-2	0.0265	0.7876	0.7054
Schistosoma mansoni	multidrug resistance protein	0.0326	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0265	0.7876	0.7876
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Leishmania major	ABC-thiol transporter	0.0326	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0265	0.7876	0.699
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0265	0.7876	0.699
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0265	0.7876	0.7876
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0326	1	1
Schistosoma mansoni	multidrug resistance protein	0.0125	0.2942	0.2942
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2942	0.2739
Leishmania major	p-glycoprotein	0.0265	0.7876	0.699
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0326	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0265	0.7876	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0265	0.7876	0.7876
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0125	0.2942	0.5
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0125	0.2942	0.5
Brugia malayi	ABC transporter	0.0125	0.2942	0.2858
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0326	1	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0265	0.7876	0.7815
Trichomonas vaginalis	ABC transporter, putative	0.0265	0.7876	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0265	0.7876	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.0676	0.0676
Entamoeba histolytica	P-glycoprotein-5	0.0265	0.7876	0.7054
Schistosoma mansoni	multidrug resistance protein	0.0265	0.7876	0.7876
Echinococcus granulosus	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0265	0.7876	0.7876
Echinococcus multilocularis		0.0125	0.2942	0.2942
Schistosoma mansoni	multidrug resistance protein	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0261	0.7723	0.7658
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.0676	0.0676
Giardia lamblia	ABC transporter, putative	0.0326	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0265	0.7876	0.7876
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0125	0.2942	0.03
Trichomonas vaginalis	taga, putative	0.0265	0.7876	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.0326	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0265	0.7876	0.7876
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Entamoeba histolytica	ABC transporter, putative	0.0326	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0265	0.7876	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0125	0.2942	0.2942
Echinococcus multilocularis	multidrug resistance protein 1	0.0265	0.7876	0.7876
Entamoeba histolytica	hypothetical protein	0.0326	1	1
Brugia malayi	ABC transporter family protein	0.0265	0.7876	0.785
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0265	0.7876	1
Echinococcus granulosus	multidrug resistance protein 1	0.0265	0.7876	0.7876
Entamoeba histolytica	P-glycoprotein 6, putative	0.0125	0.2942	0.0212
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0265	0.7876	0.7876
Entamoeba histolytica	P-glycoprotein 6, putative	0.0125	0.2942	0.0212
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0125	0.2942	0.2858
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0326	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0125	0.2942	0.5
Entamoeba histolytica	multidrug resistance protein, putative	0.0326	1	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0326	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0265	0.7876	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0326	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0265	0.7876	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0326	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0676	0.0408
Brugia malayi	multidrug resistance protein 3	0.0265	0.7876	0.785
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0321	0.9847	0.9843
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0326	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0265	0.7876	0.7054
Brugia malayi	ABC transporter	0.012	0.2789	0.2703
Trypanosoma brucei	multidrug resistance protein E	0.0326	1	1
Brugia malayi	multidrug resistance related protein 1	0.0326	1	1
Entamoeba histolytica	P-glycoprotein-1	0.0265	0.7876	0.7054
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0326	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0326	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0261	0.7723	0.7723
Loa Loa (eye worm)	multidrug resistance protein 3	0.0265	0.7876	0.7815
Trichomonas vaginalis	abcb9, putative	0.0265	0.7876	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0326	1	1
Schistosoma mansoni	smdr2	0.0265	0.7876	0.7876
Brugia malayi	ABC transporter family protein	0.0125	0.2942	0.2858
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0125	0.2942	0.5
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0125	0.2942	0.5
Echinococcus granulosus	ATP binding cassette sub family B	0.012	0.2789	0.2789
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0145	0.3648	0.1688
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.012	0.2789	0.2789
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0265	0.7876	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0265	0.7876	0.7876
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0326	1	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0265	0.7876	0.7054
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Trypanosoma cruzi	hypothetical protein	0.0201	0.5619	0.3794
Trypanosoma brucei	p-glycoprotein	0.0326	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0326	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.2789	0.2582
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0265	0.7876	0.7815
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0201	0.5619	0.5619
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0265	0.7876	1
Trichomonas vaginalis	abcb9, putative	0.0265	0.7876	1
Schistosoma mansoni	multidrug resistance protein	0.0326	1	1
Loa Loa (eye worm)	ABC transporter	0.0125	0.2942	0.2739
Echinococcus granulosus	multidrug resistance protein 1	0.0265	0.7876	0.7876
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0125	0.2942	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0265	0.7876	1
Giardia lamblia	MRP-like ABC transporter	0.0326	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 78.6 nM	Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a	ChEMBL.	16451073
IC50 (functional)	= 78.6 nM	Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a	ChEMBL.	16451073

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: 11629906

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 352327