TDR Targets

Basic information

Technical information

TDR Targets ID: 323683
Name: (1R,2R,3S,5R,6R)-2-amino-6-fluoro-3-methoxybi cyclo[3.1.0]hexane-2,6-dicarboxylic acid
MW: 233.194 | Formula: C9H12FNO5
H donors: 3 H acceptors: 4 LogP: -3.41 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O
InChi: 1S/C9H12FNO5/c1-16-4-2-3-5(8(3,10)6(12)13)9(4,11)7(14)15/h3-5H,2,11H2,1H3,(H,12,13)(H,14,15)/t3-,4+,5+,8-,9+/m1/s1
InChiKey: DLCJNGFLKRARDD-QRDUTXOSSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

(1R,2R,3S,5R,6R)-2-amino-6-fluoro-3-methoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
(1R,2R,3S,5R,6R)-2-azanyl-6-fluoro-3-methoxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Metabotropic glutamate receptor 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	hypothetical protein	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
Echinococcus granulosus	metabotropic glutamate receptor 5	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
Echinococcus multilocularis	metabotropic glutamate receptor 2	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
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 2	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
Loa Loa (eye worm)	hypothetical protein	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
Loa Loa (eye worm)	glutamate receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Metabotropic glutamate receptor 2	872 aa	774 aa	20.4 %
Loa Loa (eye worm)	hypothetical protein	Metabotropic glutamate receptor 2	872 aa	822 aa	21.2 %
Onchocerca volvulus	Cell death abnormality protein 8 homolog	Metabotropic glutamate receptor 2	872 aa	883 aa	43.3 %
Schistosoma mansoni	metabotropic glutamate receptor	Metabotropic glutamate receptor 2	872 aa	892 aa	26.9 %
Onchocerca volvulus	Golgi-associated plant pathogenesis-related protein 1 homolog	Metabotropic glutamate receptor 2	872 aa	884 aa	35.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0022	0.0021	0.0035
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0022	0.0021	0.0035
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0158	0.0268
Trypanosoma cruzi	NAD+ synthase, putative	0.0082	0.0496	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0154	0.1072	0.1817
Brugia malayi	Pre-SET motif family protein	0.0154	0.1072	0.1817
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0228	0.0386
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0172	0.121	1
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0761	0.5902	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0158	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0134	0.0228
Plasmodium vivax	glutamine-dependent NAD(+) synthetase, putative	0.0082	0.0496	1
Schistosoma mansoni	GMP synthetase	0.0033	0.0103	0.0175
Schistosoma mansoni	dihydrofolate reductase	0.0172	0.121	0.2051
Trichomonas vaginalis	set domain proteins, putative	0.0176	0.1242	0.3723
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0071	0.0407	0.0689
Plasmodium falciparum	glutamine-dependent NAD(+) synthetase, putative	0.0082	0.0496	1
Schistosoma mansoni	hypothetical protein	0.0022	0.0021	0.0035
Schistosoma mansoni	metabotropic glutamate receptor	0.0102	0.0658	0.1114
Schistosoma mansoni	cellular tumor antigen P53	0.0037	0.0134	0.0228
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0111	0.0724	0.1227
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0122	0.0816	0.1382
Loa Loa (eye worm)	hypothetical protein	0.015	0.1041	0.1763
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0031	0.0092	0.0155
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0158	0.0268
Toxoplasma gondii	glutamine-dependent NAD(+) synthetase protein, putative	0.0082	0.0496	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0022	0.0018	0.0031
Echinococcus granulosus	histone lysine methyltransferase setb	0.0022	0.0018	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0407	0.0689
Brugia malayi	Dihydrofolate reductase	0.0172	0.121	0.2051
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.004	0.0158	0.0268
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0022	0.0018	0.0031
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0158	0.0268
Schistosoma mansoni	glutamine-dependent NAD(+) synthetase	0.0049	0.0234	0.0397
Schistosoma mansoni	hypothetical protein	0.0022	0.0021	0.0035
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0071	0.0407	0.0689
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0066	0.0365	0.7263
Onchocerca volvulus		0.0176	0.1242	1
Giardia lamblia	NH3-dependent NAD+ synthetase	0.0082	0.0496	0.5
Mycobacterium ulcerans	NAD synthetase	0.0082	0.0496	0.0397
Brugia malayi	metabotropic glutamate receptor type 2	0.006	0.0317	0.0536
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0021	0.0012	0.002
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0021	0.0035
Loa Loa (eye worm)	glutamate receptor	0.0048	0.0225	0.0381
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0066	0.0365	0.6671
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0155
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0022	0.0021	0.0035
Echinococcus granulosus	GMP synthase glutamine hydrolyzing	0.0033	0.0103	0.0175
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0172	0.121	0.0752
Onchocerca volvulus		0.0037	0.0134	0.1081
Schistosoma mansoni	alpha-l-fucosidase	0.0761	0.5902	1
Echinococcus multilocularis	GPCR, family 2	0.0022	0.0021	0.0035
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0022	0.0018	0.0031
Leishmania major	NAD synthase, putative	0.0082	0.0496	1
Entamoeba histolytica	NAD synthetase, putative	0.0082	0.0496	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.004	0.0158	0.0268
Mycobacterium ulcerans	alpha-L-fucosidase	0.0761	0.5902	0.586
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0139	0.0949	0.1608
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0018	0.0031
Schistosoma mansoni	hypothetical protein	0.0022	0.0021	0.0035
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.004	0.0158	0.0268
Echinococcus multilocularis	dihydrofolate reductase	0.0172	0.121	0.2051
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0031	0.0092	0.0155
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0761	0.5902	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0071	0.0407	0.0689
Echinococcus multilocularis	geminin	0.0126	0.0844	0.1429
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0066	0.0365	0.7263
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.1275	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0022	0.0021	0.0035
Onchocerca volvulus		0.0022	0.0018	0.0148
Trypanosoma cruzi	NAD+ synthase, putative	0.0082	0.0496	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0022	0.0021	0.0035
Echinococcus granulosus	GPCR family 2	0.0022	0.0021	0.0035
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0102	0.0658	0.1114
Echinococcus multilocularis	GMP synthase (glutamine hydrolyzing)	0.0033	0.0103	0.0175
Brugia malayi	Alpha-L-fucosidase family protein	0.0761	0.5902	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.004	0.0158	0.0268
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0022	0.0021	0.0035
Schistosoma mansoni	glutamine-dependent NAD(+) synthetase	0.0082	0.0496	0.084
Schistosoma mansoni	hypothetical protein	0.0022	0.0021	0.0035
Brugia malayi	Receptor family ligand binding region containing protein	0.0031	0.0092	0.0155
Loa Loa (eye worm)	dihydrofolate reductase	0.0172	0.121	0.2051
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0334	0.2501	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0334	0.2501	1
Echinococcus granulosus	geminin	0.0126	0.0844	0.1429
Treponema pallidum	NAD synthetase	0.0082	0.0496	0.5
Brugia malayi	dihydrofolate reductase family protein	0.0172	0.121	0.2051
Toxoplasma gondii	bifunctional GMP synthase/glutamine amidotransferase protein	0.0033	0.0103	0.178
Echinococcus granulosus	dihydrofolate reductase	0.0172	0.121	0.2051
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0066	0.0365	0.6671
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0172	0.121	0.1119
Echinococcus granulosus	metabotropic glutamate receptor 5	0.015	0.1041	0.1763
Brugia malayi	GMP synthase	0.0033	0.0103	0.0175
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.004	0.0158	0.0268
Brugia malayi	latrophilin 2 splice variant baaae	0.0048	0.0228	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0103	0.0175
Brugia malayi	Latrophilin receptor protein 2	0.0022	0.0021	0.0035
Echinococcus granulosus	tumor protein p63	0.0251	0.1839	0.3116
Schistosoma mansoni	hypothetical protein	0.0126	0.0844	0.1429
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0102	0.0658	0.1114
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0018	0.0031
Schistosoma mansoni	metabotropic glutamate receptor	0.006	0.0317	0.0536
Brugia malayi	Pre-SET motif family protein	0.0022	0.0018	0.0031
Chlamydia trachomatis	dihydrofolate reductase	0.0172	0.121	0.5
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0602	0.4636	0.7854
Echinococcus multilocularis	tumor protein p63	0.0251	0.1839	0.3116
Plasmodium vivax	GMP synthetase, putative	0.0033	0.0103	0.178
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.015	0.1041	0.1763
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0018	0.0031
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0022	0.0018	0.0031
Schistosoma mansoni	hypothetical protein	0.0126	0.0844	0.1429
Trypanosoma brucei	NAD+ synthase, putative	0.0082	0.0496	1
Loa Loa (eye worm)	alpha-L-fucosidase	0.0761	0.5902	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0228	0.0386
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0066	0.0365	0.6671
Loa Loa (eye worm)	glutamate receptor	0.0122	0.0816	0.1382

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 190 nM	Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]-MGS0008	ChEMBL.	15317467
Ki (binding)	= 190 nM	Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]-MGS0008	ChEMBL.	15317467

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: 11172339

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 323683