TDR Targets

Basic information

Technical information

TDR Targets ID: 1820759
Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3- yl] furan-2-carboxylate
MW: 235.279 | Formula: C13H17NO3
H donors: 0 H acceptors: 1 LogP: 2.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1ccco1
InChi: 1S/C13H17NO3/c1-14-9-4-5-10(14)8-11(7-9)17-13(15)12-3-2-6-16-12/h2-3,6,9-11H,4-5,7-8H2,1H3/t9-,10+,11+
InChiKey: JBTLJHIQAFDIPV-URLYPYJESA-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

2-furancarboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
furan-2-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glycine receptor subunit alpha-1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	ko:K05195 glycine receptor, alpha 3, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit alpha 1	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	ko:K05194 glycine receptor, alpha 2, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus multilocularis	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128286	All targets in OG5_128286
Loa Loa (eye worm)	GABA receptor subunit	Get druggable targets OG5_128286	All targets in OG5_128286
Schistosoma japonicum	Glycine receptor subunit alpha-3 precursor, putative	Get druggable targets OG5_128286	All targets in OG5_128286
Echinococcus granulosus	glycine receptor subunit beta	Get druggable targets OG5_128286	All targets in OG5_128286
Brugia malayi	Cation transporter family protein	Get druggable targets OG5_128286	All targets in OG5_128286

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Gamma-aminobutyric acid receptor subunit beta homolog	Glycine receptor subunit alpha-1	457 aa	407 aa	29.5 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	438 aa	29.5 %
Onchocerca volvulus	Eukaryotic initiation factor 4A-III homolog	Glycine receptor subunit alpha-1	457 aa	468 aa	25.4 %
Loa Loa (eye worm)	hypothetical protein	Glycine receptor subunit alpha-1	457 aa	401 aa	30.2 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	447 aa	31.5 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	429 aa	30.1 %
Loa Loa (eye worm)	hypothetical protein	Glycine receptor subunit alpha-1	457 aa	434 aa	25.6 %
Onchocerca volvulus	Putative cys-loop ligand gated ion channel subunit	Glycine receptor subunit alpha-1	457 aa	426 aa	38.5 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	430 aa	34.2 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	422 aa	29.6 %
Onchocerca volvulus		Glycine receptor subunit alpha-1	457 aa	416 aa	27.4 %
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	Glycine receptor subunit alpha-1	457 aa	434 aa	30.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	serotonin transporter	0.2046	1	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0026	0.0021
Loa Loa (eye worm)	solute carrier family 6 member 4	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0103	0.0098
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0073	0.0219	0.0219
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.082	0.3925	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0184	0.0179
Brugia malayi	TAR-binding protein	0.0062	0.0169	0.0164
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0347	0.1581	0.1581
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Echinococcus granulosus	lysosomal protective protein	0.082	0.3925	0.3925
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0081	0.0261	0.0256
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0169	0.0164
Echinococcus multilocularis	lysosomal protective protein	0.082	0.3925	0.3922
Echinococcus multilocularis	serotonin transporter	0.2046	1	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.082	0.3925	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.2046	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0255	0.1122	0.1117
Schistosoma mansoni	sodium/chloride dependent transporter	0.0347	0.1581	0.1576
Brugia malayi	Cation transporter family protein	0.0073	0.0219	0.0214
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0347	0.1581	0.1581
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0786	0.3755	0.3752
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0169	0.0164
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0347	0.1581	0.1576
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.0732	0.1027
Brugia malayi	RNA binding protein	0.0062	0.0169	0.0164
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.082	0.3925	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0255	0.1122	0.1117
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0073	0.0219	0.0214
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0073	0.0219	0.0214
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0347	0.1581	0.1576
Plasmodium falciparum	transporter, putative	0.0347	0.1581	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0347	0.1581	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0219	0.0214
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0169	0.0164
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Brugia malayi	Pre-SET motif family protein	0.0205	0.0877	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0347	0.1581	0.1576
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.082	0.3925	0.3922
Plasmodium falciparum	amino acid transporter, putative	0.0347	0.1581	0.5
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0169	0.0169
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0739	0.3523	0.3523
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0064	0.0179	0.0173
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0169	0.0164
Plasmodium vivax	amine transporter, putative	0.0347	0.1581	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0073	0.0219	0.0214
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0347	0.1581	0.1581
Toxoplasma gondii	hypothetical protein	0.0347	0.1581	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0073	0.0219	0.0219
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0347	0.1581	0.1581
Loa Loa (eye worm)	hypothetical protein	0.082	0.3925	0.3922
Onchocerca volvulus		0.0234	0.1017	0.1013
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0347	0.1581	0.1581
Onchocerca volvulus		0.0347	0.1581	0.1576
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0169	0.0164
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0169	0.0164
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0347	0.1581	0.1576
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0073	0.0219	0.0214
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0347	0.1581	0.1576
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.082	0.3925	0.3922
Onchocerca volvulus		0.0347	0.1581	0.1576
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0064	0.0179	0.0173
Trichomonas vaginalis	glucosylceramidase, putative	0.0176	0.0732	0.1027
Loa Loa (eye worm)	hypothetical protein	0.2046	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0103	0.0098
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0073	0.0219	0.0214
Loa Loa (eye worm)	serotonin transporter b	0.2046	1	1
Echinococcus multilocularis	glycine receptor subunit beta	0.0073	0.0219	0.0214
Loa Loa (eye worm)	hypothetical protein	0.2046	1	1
Toxoplasma gondii	hypothetical protein	0.0347	0.1581	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0347	0.1581	0.5
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.082	0.3925	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	0.1576
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0064	0.0179	0.0179
Loa Loa (eye worm)	norepinephrine transporter	0.2046	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0169	0.0164
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0073	0.0219	0.0214
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0739	0.3523	0.352
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0073	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.2046	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0103	0.0098
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.082	0.3925	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0347	0.1581	0.1576
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0073	0.0219	0.0214
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0005	0.0005
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0073	0.0219	0.0219
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0347	0.1581	0.1576
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	0.1576
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	0.1576
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0073	0.0219	0.0214
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0347	0.1581	0.1576
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0169	0.0164
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	0.1576
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	1
Loa Loa (eye worm)	GABA receptor subunit	0.0066	0.0184	0.0179
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0103	0.0098
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.082	0.3925	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0073	0.0219	0.0219
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0026	0.0021
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0064	0.0179	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.082	0.3925	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.0877	0.0872
Schistosoma mansoni	sodium/chloride dependent transporter	0.2046	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0026	0.0021
Treponema pallidum	sodium- and chloride- dependent transporter	0.2046	1	0.5
Onchocerca volvulus		0.0347	0.1581	0.1576
Echinococcus granulosus	sodium and chloride dependent glycine	0.0347	0.1581	0.1581
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0073	0.0219	0.0214
Brugia malayi	hypothetical protein	0.0347	0.1581	0.1576
Onchocerca volvulus	Glucosylceramidase homolog	0.0167	0.0688	0.0683
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0347	0.1581	0.1576
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0255	0.1122	1
Echinococcus granulosus	glycine receptor subunit beta	0.0073	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1581	0.1576
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0347	0.1581	0.1576
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0066	0.0184	0.0179
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.082	0.3925	0.3922
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0169	0.0164
Onchocerca volvulus		0.2046	1	1
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.1017	0.7593
Schistosoma mansoni	sodium/chloride dependent transporter	0.0347	0.1581	0.1576
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0169	0.0164
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.082	0.3925	0.3922
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.082	0.3925	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5	Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
IC50 (binding)	= 5.25	Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
IC50 (binding)	= 7.3	Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry	ChEMBL.	19726200
Ratio IC50 (binding)	= 200	Selectivity ratio of IC50 for GlyR low affinity site to IC50 for GlyR high affinity site in Wistar rat spinal cord	ChEMBL.	19726200

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: CHEMBL3084704

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1820759