Detailed information for compound 141384

Basic information

Technical information
  • TDR Targets ID: 141384
  • Name: (2R,3R)-3-(5-bromospiro[indene-1,4'-piperidin e]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
  • MW: 410.347 | Formula: C23H24BrNO
  • H donors: 1 H acceptors: 1 LogP: 5.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C=Cc1c2ccc(c1)Br
  • InChi: 1S/C23H24BrNO/c24-19-5-6-20-18(13-19)7-8-23(20)9-11-25(12-10-23)21-14-16-3-1-2-4-17(16)15-22(21)26/h1-8,13,21-22,26H,9-12,14-15H2/t21-,22-/m1/s1
  • InChiKey: XRYXFWWBKXQTHR-FGZHOGPDSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2R,3R)-3-(5-bromospiro[indene-1,4'-piperidine]-1'-yl)tetralin-2-ol
  • (2R,3R)-3-(5-bromo-1'-spiro[indene-1,4'-piperidine]yl)-2-tetralinol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Torpedo californica Vesicular acetylcholine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma japonicum ko:K08155 MFS transporter, DHA1 family, solute carrier family 18 (vesicular, putative 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
Brugia malayi vesicular acetylcholine transporter unc-17 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
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
Loa Loa (eye worm) abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 427 aa 38.6 %
Brugia malayi Abnormal catecholamine distribution protein 1 Vesicular acetylcholine transporter   515 aa 431 aa 37.6 %
Onchocerca volvulus Vesicular acetylcholine transporter   515 aa 456 aa 53.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0525 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0146 0.1505 0.3561
Echinococcus granulosus nAChR subunit 0.0146 0.1505 0.3561
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0146 0.1505 0.3561
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0525 1 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0146 0.1505 0.1505
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0146 0.1505 0.1505
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0146 0.1505 0.3561
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0267 0.4227 0.4227
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0457 0.8495 0.8495
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0146 0.1505 0.3561
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0146 0.1505 0.3561
Brugia malayi Cation transporter family protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0525 1 1
Entamoeba histolytica hypothetical protein 0.0078 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0146 0.1505 0.1505
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0146 0.1505 0.1505
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Schistosoma mansoni vesicular acetylcholine transporter 0.0267 0.4227 0.4227
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0146 0.1505 0.1505
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0146 0.1505 0.3561
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0525 1 1
Onchocerca volvulus 0.0525 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0146 0.1505 0.1505
Loa Loa (eye worm) LGC-31 protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0146 0.1505 0.1505
Echinococcus multilocularis glycine receptor subunit beta 0.0146 0.1505 0.3561
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0146 0.1505 0.1505
Echinococcus multilocularis nAChR subunit 0.0146 0.1505 0.3561
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0146 0.1505 0.1505
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0146 0.1505 0.3561
Echinococcus multilocularis vesicular acetylcholine transporter 0.0267 0.4227 1
Onchocerca volvulus Putative nachr subunit 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0146 0.1505 0.1505
Onchocerca volvulus 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Onchocerca volvulus 0.0146 0.1505 0.1505
Echinococcus granulosus glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0146 0.1505 0.1505
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0146 0.1505 0.1505
Onchocerca volvulus 0.0146 0.1505 0.1505
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Echinococcus granulosus glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Brugia malayi Cation transporter family protein 0.0146 0.1505 0.1505
Onchocerca volvulus 0.0525 1 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0146 0.1505 0.1505
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0146 0.1505 0.3561
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0146 0.1505 0.3561
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0146 0.1505 0.3561
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Echinococcus granulosus vesicular acetylcholine transporter 0.0267 0.4227 1
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0267 0.4227 0.4227
Echinococcus granulosus glycine receptor subunit beta 0.0146 0.1505 0.3561
Loa Loa (eye worm) ACC-1 protein 0.0146 0.1505 0.1505
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0146 0.1505 0.3561
Loa Loa (eye worm) ACC-1 protein 0.0146 0.1505 0.1505
Onchocerca volvulus 0.0525 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0146 0.1505 0.3561
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0146 0.1505 0.1505
Echinococcus multilocularis glycine receptor subunit beta 0.0146 0.1505 0.3561
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0146 0.1505 0.3561
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0146 0.1505 0.3561
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Brugia malayi vesicular acetylcholine transporter unc-17 0.0267 0.4227 0.4227
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0146 0.1505 0.3561
Echinococcus granulosus glycine receptor subunit beta 0.0146 0.1505 0.3561
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0146 0.1505 0.1505
Brugia malayi excitatory GABA receptor EXP-1A 0.0146 0.1505 0.1505
Schistosoma mansoni nAChR subunit 0.0146 0.1505 0.1505
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0146 0.1505 0.3561
Loa Loa (eye worm) hypothetical protein 0.0146 0.1505 0.1505
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0146 0.1505 0.1505

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.271 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300
Ki (binding) = 0.271 nM In vitro binding affinity to vesamicol receptor using [3H]-vesamicol. ChEMBL. 8057300

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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