Detailed information for compound 151876

Basic information

Technical information
  • TDR Targets ID: 151876
  • Name: 2-(1-azabicyclo[3.2.1]octan-5-yl)-5-methyl-1, 3,4-oxadiazole
  • MW: 193.246 | Formula: C10H15N3O
  • H donors: 0 H acceptors: 2 LogP: 0.9 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nnc(o1)C12CCCN(C2)CC1
  • InChi: 1S/C10H15N3O/c1-8-11-12-9(14-8)10-3-2-5-13(7-10)6-4-10/h2-7H2,1H3
  • InChiKey: MXUARDYCBBZOOT-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-azabicyclo[3.2.1]octane

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Muscarinic acetylcholine receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor   466 aa 412 aa 22.6 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor   466 aa 461 aa 26.0 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor   466 aa 462 aa 19.9 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor   466 aa 493 aa 34.7 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 484 aa 24.4 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor   466 aa 480 aa 18.5 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 21.1 %
Onchocerca volvulus Muscarinic acetylcholine receptor   466 aa 472 aa 24.6 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor   466 aa 510 aa 29.8 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor   466 aa 505 aa 26.9 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor   466 aa 459 aa 20.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor   466 aa 461 aa 23.9 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor   466 aa 462 aa 26.8 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor   466 aa 497 aa 24.7 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor   466 aa 463 aa 24.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1626 0.8714 1
Brugia malayi fructose-1,6-bisphosphatase 0.1626 0.8714 1
Toxoplasma gondii MAPEG family protein 0.186 1 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0605 0.3101 0.3491
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.186 1 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.1626 0.8714 0.8601
Trypanosoma brucei fructose-1,6-bisphosphatase 0.1626 0.8714 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0605 0.3101 0.3491
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.1626 0.8714 1
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0605 0.3101 0.3491
Loa Loa (eye worm) CYP4Cod1 0.0057 0.009 0.0103
Toxoplasma gondii fructose-bisphospatase II 0.1626 0.8714 0.8136
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.009 0.0103
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0057 0.009 0.5
Schistosoma mansoni microsomal glutathione s-transferase 0.186 1 1
Echinococcus multilocularis microsomal glutathione S transferase 3 0.186 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.1626 0.8714 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.009 0.0103
Leishmania major 0.1626 0.8714 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 42 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 34-52 ChEMBL. 1895293
IC50 (binding) = 42 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-oxotremorine-M from rat cerebral cortex; Value ranges from 34-52 ChEMBL. 1895293
IC50 (binding) = 9400 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 8000-11000 ChEMBL. 1895293
IC50 (binding) = 9400 nM The compound was tested in vitro for central muscarinic acetylcholine receptor affinity to displace [3H]-quinuclidinyl benzilate from rat cerebral cortex; Value ranges from 8000-11000 ChEMBL. 1895293
Ratio (binding) = 220 It is the ratio of IC50 (QNB) to that of IC50 (OXO-M) ChEMBL. 1895293

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

Bibliographic References

1 literature reference was collected for this gene.

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