TDR Targets

Basic information

Technical information

TDR Targets ID: 13787
Name: 5-(1-azabicyclo[2.2.2]octan-8-yl)-1,2,4-oxadi azol-3-amine
MW: 194.234 | Formula: C9H14N4O
H donors: 1 H acceptors: 2 LogP: 0.44 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1noc(n1)C1CN2CCC1CC2
InChi: 1S/C9H14N4O/c10-9-11-8(14-12-9)7-5-13-3-1-6(7)2-4-13/h6-7H,1-5H2,(H2,10,12)
InChiKey: MUJAUZIHWPUKFL-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

5-quinuclidin-3-yl-1,2,4-oxadiazol-3-amine
5-(3-quinuclidinyl)-1,2,4-oxadiazol-3-amine
(5-quinuclidin-3-yl-1,2,4-oxadiazol-3-yl)amine
3-(3-amino-1,2,4-oxadiazole-5-yl)-quinuclidine
114724-42-4
L-660,863
L-660863
1,2,4-Oxadiazol-3-amine, 5-(1-azabicyclo(2.2.2)oct-5-yl)-
L 660863

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
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0236	0.1003	0.2764
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0082	0.0183	0.015
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0236	0.1003	0.0973
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0236	0.1003	0.2764
Brugia malayi	photoreceptor-specific nuclear receptor	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0236	0.1003	0.1042
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0236	0.1003	0.0973
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0111	0.0339	0.0935
Brugia malayi	nuclear receptor NHR-67	0.0111	0.0339	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0236	0.1003	0.2764
Brugia malayi	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0236	0.1003	0.2764
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0125	0.041	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1002	0.2761
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.0339	0.0935
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0236	0.1003	0.0973
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0236	0.1003	0.1042
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0236	0.1003	0.1042
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0236	0.1003	0.2764
Schistosoma mansoni	hypothetical protein	0.0067	0.0101	0.0068
Brugia malayi	tailless protein	0.0111	0.0339	0.0935
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.073	0.3629	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.041	0.1131
Schistosoma mansoni	nuclear receptor	0.0111	0.0339	0.0307
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0236	0.1003	0.0973
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.008	0.0171	0.4783
Schistosoma mansoni	sodium/chloride dependent transporter	0.0236	0.1002	0.0972
Loa Loa (eye worm)	nuclear hormone receptor	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0236	0.1003	0.2764
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0236	0.1003	0.2764
Schistosoma mansoni	nuclear receptor	0.0111	0.0339	0.0307
Loa Loa (eye worm)	steroid hormone receptor	0.0236	0.1003	0.2764
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0855	0.4292	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.0339	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0125	0.041	0.1131
Brugia malayi	ecdysone receptor	0.0111	0.0339	0.0935
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.0339	0.0307
Schistosoma mansoni	retinoic acid receptor RXR	0.1928	1	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0057	0.005	0.1125
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0125	0.041	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Echinococcus multilocularis	nuclear receptor nhr 48	0.0111	0.0339	0.0329
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0236	0.1003	0.0973
Brugia malayi	conserved hypotetical protein	0.0111	0.0339	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	nuclear hormone receptor	0.0236	0.1003	0.2764
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.0339	0.0329
Brugia malayi	steroid hormone receptor	0.0236	0.1003	0.2764
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0082	0.0183	0.0161
Brugia malayi	Steroid receptor seven-up type 2	0.0236	0.1003	0.2764
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0169	0.0646	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0236	0.1003	0.0973
Schistosoma mansoni	nuclear hormone receptor	0.0236	0.1003	0.0973
Loa Loa (eye worm)	serotonin transporter b	0.0236	0.1002	0.2761
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1002	0.2761
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.0339	0.0307
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0111	0.0339	0.0329
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0236	0.1003	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0236	0.1003	0.1042
Schistosoma mansoni	jun-related protein	0.0067	0.0101	0.0068
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0125	0.041	0.0378
Echinococcus granulosus	jun protein	0.0082	0.0183	0.015
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0236	0.1002	0.2761
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0111	0.0339	0.0307
Brugia malayi	hypothetical protein	0.0125	0.041	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0236	0.1003	0.2764
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0111	0.0339	0.0307
Schistosoma mansoni	RAR-like nuclear receptor	0.0236	0.1003	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0125	0.041	0.1131
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0112	0.0343	1
Onchocerca volvulus	Bile acid receptor homolog	0.0236	0.1003	0.2174
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1803	0.9336	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0111	0.0339	0.0595
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0236	0.1003	0.0973
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0057	0.005	0.1125
Treponema pallidum	sodium- and chloride- dependent transporter	0.0236	0.1002	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Echinococcus granulosus	serotonin transporter	0.0236	0.1002	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Schistosoma mansoni	nuclear receptor nhr-48	0.0111	0.0339	0.0307
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0236	0.1003	0.0973
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0111	0.0339	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0236	0.1003	0.2764
Brugia malayi	nuclear hormone receptor	0.073	0.3629	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0236	0.1003	0.2764
Onchocerca volvulus		0.0236	0.1003	0.2174
Brugia malayi	bZIP transcription factor family protein	0.0082	0.0183	0.0503
Brugia malayi	nuclear receptor NHR-88	0.0236	0.1003	0.2764
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0236	0.1003	0.1042
Onchocerca volvulus		0.0236	0.1002	0.2172
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Schistosoma mansoni	thyroid hormone receptor	0.0236	0.1003	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1002	0.2761
Loa Loa (eye worm)	hypothetical protein	0.008	0.0171	0.0471
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.041	0.1131
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0236	0.1003	0.2764
Brugia malayi	hypothetical protein	0.0125	0.041	0.1131
Echinococcus multilocularis	FTZ F1 alpha	0.0236	0.1003	0.1042
Schistosoma mansoni	coup transcription factor	0.0236	0.1003	0.0973
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.041	0.1131
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0236	0.1003	0.2764
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0236	0.1003	0.1042
Echinococcus granulosus	thyroid hormone receptor alpha	0.0111	0.0339	0.0307
Brugia malayi	nuclear receptor RXR	0.0125	0.041	0.1131
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0111	0.0339	0.0595
Loa Loa (eye worm)	norepinephrine transporter	0.0236	0.1002	0.2761
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0169	0.0646	0.5
Brugia malayi	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	nuclear receptor NHR-88	0.0111	0.0339	0.0935
Echinococcus multilocularis	ecdysone induced protein 78C	0.0236	0.1003	0.1042
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0236	0.1003	0.0973
Brugia malayi	ecdysteroid receptor	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Echinococcus granulosus	nuclear receptor nhr 48	0.0111	0.0339	0.0307
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0236	0.1003	0.2764
Loa Loa (eye worm)	DR-78	0.0111	0.0339	0.0935
Echinococcus multilocularis	serotonin transporter	0.0236	0.1002	0.1041
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.0339	0.0307
Schistosoma mansoni	zinc finger protein	0.0111	0.0339	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0619	0.3036	0.8367
Loa Loa (eye worm)	hypothetical protein	0.0125	0.041	0.1131
Echinococcus granulosus	ecdysone induced protein 78C	0.0236	0.1003	0.0973
Onchocerca volvulus		0.0111	0.0339	0.0595
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.008	0.0171	0.4783
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0236	0.1003	0.0973
Brugia malayi	orphan nuclear receptor NR2E1	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.0339	0.0935
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0236	0.1003	0.2764
Onchocerca volvulus		0.0111	0.0339	0.0595
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0111	0.0339	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0125	0.041	0.1131
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.0339	0.0307
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0236	0.1003	0.2764
Echinococcus multilocularis	jun protein	0.0082	0.0183	0.0161
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0111	0.0339	0.0329
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0236	0.1003	0.0973
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0236	0.1003	0.1042
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0236	0.1003	0.2764
Brugia malayi	hypothetical protein	0.0064	0.0089	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0339	0.0935
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0236	0.1003	0.2764
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0125	0.041	0.0378
Schistosoma mansoni	thyroid hormone receptor	0.0236	0.1003	0.0973
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0125	0.041	0.0378
Onchocerca volvulus	Protein ultraspiracle homolog	0.0236	0.1003	0.2174
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0236	0.1003	0.0973
Echinococcus granulosus	FTZ F1 alpha	0.0236	0.1003	0.0973
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0236	0.1002	0.0972
Brugia malayi	nuclear receptor RXR	0.0111	0.0339	0.0935
Trichomonas vaginalis	aldehyde oxidase, putative	0.0169	0.0646	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0236	0.1003	0.2764
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0236	0.1002	0.2761
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.008	0.0171	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0111	0.0339	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0236	0.1003	0.2764

Activities

Activity type	Activity value	Assay description	Source	Reference
K app (binding)	= 0.00047 uM	In vitro binding affinity against muscarinic acetylcholine receptor from rat cortical homogenates using [3H]-oxotremorine-M radioligand	ChEMBL.	2213823
K app (binding)	= 0.00047 uM	In vitro binding affinity against muscarinic acetylcholine receptor from rat cortical homogenates using [3H]-oxotremorine-M radioligand	ChEMBL.	2213823
K app (binding)	= 0.0005 uM	In vitro displacement of [3H]-OXO-M from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 0.0005 uM	In vitro displacement of [3H]-OXO-M from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 0.6 uM	In vitro binding affinity against muscarinic acetylcholine receptor from rat cortical homogenates using [3H]-N-methylscopolamine as radioligand	ChEMBL.	2213823
K app (binding)	= 0.6 uM	In vitro for its ability to displace [3H]-NMS from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 0.6 uM	In vitro binding affinity against muscarinic acetylcholine receptor from rat cortical homogenates using [3H]-N-methylscopolamine as radioligand	ChEMBL.	2213823
K app (binding)	= 0.6 uM	In vitro for its ability to displace [3H]-NMS from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
Log ratio (binding)	= 3.08	Log of the ratio of Kapp([3H]-NMS)/Kapp([3H]-OXO-M) was determined	ChEMBL.	2319559
Ratio (binding)	= 1200	The ratio of Kapp([3H]-NMS) / Kapp([3H]-OXO-M) was determined	ChEMBL.	2319559
Ratio (binding)	= 1270	The selectivity ratio of Kapp of NMS/OXO -M	ChEMBL.	2213823

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

Search by CAS
PubChem: 195111

Bibliographic References

2 literature references were 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 13787