Detailed information for compound 153703

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 178.231 | Formula: C10H14N2O
  • H donors: 0 H acceptors: 1 LogP: 1.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CC[C@H](C1)Oc1cccnc1
  • InChi: 1S/C10H14N2O/c1-12-6-4-10(8-12)13-9-3-2-5-11-7-9/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1
  • InChiKey: IQCQHGQPQPBWLI-SNVBAGLBSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Neuronal acetylcholine receptor protein alpha-10 subunit Starlite/ChEMBL References
Rattus norvegicus Neuronal acetylcholine receptor; alpha4/beta2 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
Echinococcus multilocularis nAChR subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 442 aa 28.5 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 487 aa 32.0 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 461 aa 33.6 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 489 aa 33.1 %
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 450 aa 27.8 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 449 aa 28.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 426 aa 31.7 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 492 aa 31.3 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 445 aa 29.2 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 433 aa 31.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 462 aa 35.9 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 486 aa 28.6 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 449 aa 37.0 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 459 aa 35.5 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 463 aa 27.2 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 445 aa 36.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 462 aa 35.9 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 453 aa 35.8 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 468 aa 32.7 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 376 aa 36.7 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 494 aa 26.5 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 426 aa 35.4 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 449 aa 37.0 %
Loa Loa (eye worm) hypothetical protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 380 aa 22.4 %
Onchocerca volvulus Putative zinc finger protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 499 aa 32.1 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 449 aa 37.0 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 464 aa 24.4 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 494 aa 32.4 %
Echinococcus multilocularis glycine receptor subunit beta Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 406 aa 21.2 %
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 450 aa 26.9 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 384 aa 32.6 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 491 aa 35.0 %
Brugia malayi Cation transporter family protein Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 468 aa 35.3 %
Onchocerca volvulus Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 466 aa 32.4 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 509 aa 23.4 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 470 aa 32.3 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 462 aa 28.8 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 443 aa 30.9 %
Schistosoma mansoni nAChR subunit Neuronal acetylcholine receptor protein alpha-10 subunit   447 aa 360 aa 36.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi Cation transporter family protein 0.0038 0.1398 0.1398
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0038 0.1398 0.1398
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) ACC-1 protein 0.0038 0.1398 0.1398
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Echinococcus multilocularis nAChR subunit 0.0038 0.1398 0.1398
Schistosoma mansoni thyroid hormone receptor 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.1398 0.1398
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0038 0.1398 0.1398
Schistosoma mansoni RAR-like nuclear receptor 0.0063 1 1
Echinococcus granulosus nAChR subunit 0.0038 0.1398 0.1398
Brugia malayi excitatory GABA receptor EXP-1A 0.0038 0.1398 0.1398
Schistosoma mansoni steroid hormone receptor ad4bp 0.0063 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0063 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0038 0.1398 0.1398
Loa Loa (eye worm) LGC-31 protein 0.0038 0.1398 0.1398
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Echinococcus multilocularis FTZ F1 alpha 0.0063 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0063 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.1398 0.1398
Echinococcus multilocularis glycine receptor subunit beta 0.0038 0.1398 0.1398
Echinococcus multilocularis glycine receptor subunit beta 0.0038 0.1398 0.1398
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0063 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0063 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0038 0.1398 0.1398
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0063 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 1 1
Echinococcus granulosus FTZ F1 alpha 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) steroid hormone receptor 0.0063 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Echinococcus granulosus ecdysone induced protein 78C 0.0063 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0038 0.1398 0.1398
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor-like 1 0.0063 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0063 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0063 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0038 0.1398 0.1398
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0038 0.1398 0.1398
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0038 0.1398 0.1398
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Schistosoma mansoni nuclear hormone receptor 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0063 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Schistosoma mansoni nAChR subunit 0.0038 0.1398 0.1398
Onchocerca volvulus 0.0063 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0063 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0038 0.1398 0.1398
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0038 0.1398 0.1398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0063 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0063 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0063 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0063 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0038 0.1398 0.1398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Onchocerca volvulus Bile acid receptor homolog 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0038 0.1398 0.1398
Brugia malayi Cation transporter family protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0063 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0063 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0038 0.1398 0.1398
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi Cation transporter family protein 0.0038 0.1398 0.1398
Echinococcus multilocularis ecdysone induced protein 78C 0.0063 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0038 0.1398 0.1398
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0038 0.1398 0.1398
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0038 0.1398 0.1398
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0038 0.1398 0.1398
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0038 0.1398 0.1398
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0038 0.1398 0.1398
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0038 0.1398 0.1398
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Schistosoma mansoni retinoic acid receptor RXR 0.0063 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0038 0.1398 0.1398
Schistosoma mansoni thyroid hormone receptor 0.0063 1 1
Loa Loa (eye worm) ACC-1 protein 0.0038 0.1398 0.1398
Onchocerca volvulus Protein ultraspiracle homolog 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0063 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi nuclear receptor NHR-88 0.0063 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0038 0.1398 0.1398
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0038 0.1398 0.1398
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0063 1 1
Brugia malayi steroid hormone receptor 0.0063 1 1
Schistosoma mansoni coup transcription factor 0.0063 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0063 1 1
Brugia malayi nuclear hormone receptor 0.0063 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0063 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0063 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0038 0.1398 0.1398
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.1398 0.1398
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0038 0.1398 0.1398
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0038 0.1398 0.1398
Loa Loa (eye worm) hypothetical protein 0.0063 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0038 0.1398 0.1398
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0038 0.1398 0.1398
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0063 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.44 nM Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat brain synaptic membranes. ChEMBL. 10509928
Ki (binding) = 4.44 nM Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [3H]- (-) cytisine binding from whole rat brain synaptic membranes. ChEMBL. 10509928
Ki (binding) > 10000 nM Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [125I]-alpha-BgT binding to rat brain membrane ChEMBL. 10509928
Ki (binding) > 10000 nM Nicotinic acetylcholine receptor binding activity was determined by ability of the compound to displace [125I]-alpha-BgT binding to rat brain membrane ChEMBL. 10509928

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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