Detailed information for compound 24328

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.386 | Formula: C17H25NO2
  • H donors: 2 H acceptors: 2 LogP: 2.18 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CN(CCC1c1ccccc1)C1CCCCC1O
  • InChi: 1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-11-10-14(17(20)12-18)13-6-2-1-3-7-13/h1-3,6-7,14-17,19-20H,4-5,8-12H2
  • InChiKey: AEJPSRCZMAVQAQ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 18 (vesicular acetylcholine transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus multilocularis vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Echinococcus granulosus vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Onchocerca volvulus Vesicular acetylcholine transporter homolog Get druggable targets OG5_133283 All targets in OG5_133283
Schistosoma mansoni vesicular acetylcholine transporter Get druggable targets OG5_133283 All targets in OG5_133283
Brugia malayi vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 Get druggable targets OG5_133283 All targets in OG5_133283

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Abnormal catecholamine distribution protein 1 solute carrier family 18 (vesicular acetylcholine transporter), member 3 532 aa 504 aa 34.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni nAChR subunit 0.0299 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0299 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0299 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0299 1 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0299 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0299 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0299 1 1
Onchocerca volvulus 0.0299 1 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 0.7689 0.7689
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Onchocerca volvulus 0.0299 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0299 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0299 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi Cation transporter family protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 0.7689 0.7689
Echinococcus multilocularis glycine receptor subunit beta 0.0299 1 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0299 1 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus multilocularis nAChR subunit 0.0299 1 1
Brugia malayi Cation transporter family protein 0.0299 1 1
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 0.7689 0.7689
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0299 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0299 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0299 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 0.7689 0.7689
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0299 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0299 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 0.7689 0.7689
Echinococcus granulosus glycine receptor subunit beta 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0299 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Onchocerca volvulus 0.0299 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0299 1 1
Loa Loa (eye worm) ACC-1 protein 0.0299 1 1
Entamoeba histolytica hypothetical protein 0.0161 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Onchocerca volvulus 0.0299 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0299 1 1
Loa Loa (eye worm) ACC-1 protein 0.0299 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0299 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus granulosus nAChR subunit 0.0299 1 1
Loa Loa (eye worm) LGC-31 protein 0.0299 1 1
Onchocerca volvulus 0.0299 1 1
Onchocerca volvulus Putative nachr subunit 0.0299 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0299 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0299 1 1
Brugia malayi Cation transporter family protein 0.0299 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0299 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0299 1 1
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0299 1 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0267 0.7689 0.7689
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0299 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0299 1 1
Schistosoma mansoni nAChR subunit 0.0299 1 1
Loa Loa (eye worm) hypothetical protein 0.0299 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0299 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0299 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0299 1 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0299 1 1
Onchocerca volvulus 0.0299 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 200 nM Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles ChEMBL. 2724295
IC50 (binding) = 200 nM Inhibition of active transport of [3H]-Acetylcholine using purified Torpedo californica synaptic vesicles ChEMBL. 2724295

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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