Detailed information for compound 1522382

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.524 | Formula: C24H32N2O
  • H donors: 1 H acceptors: 1 LogP: 4.84 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C1Cc2c(C1)cccc2)CCCCNC(=O)Cc1ccccc1
  • InChi: 1S/C24H32N2O/c1-2-15-26(23-18-21-12-6-7-13-22(21)19-23)16-9-8-14-25-24(27)17-20-10-4-3-5-11-20/h3-7,10-13,23H,2,8-9,14-19H2,1H3,(H,25,27)
  • InChiKey: XZIQPBDZWFZJRV-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 dopamine receptor D3 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
Brugia malayi hypothetical protein dopamine receptor D3 400 aa 392 aa 19.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis lamin 0.0031 0.6517 0.6517
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.1124 0.1124
Loa Loa (eye worm) hypothetical protein 0.0015 0.1124 0.1725
Brugia malayi intermediate filament protein 0.0031 0.6517 0.6517
Entamoeba histolytica hypothetical protein 0.0042 1 0.5
Schistosoma mansoni lamin 0.0031 0.6517 0.6517
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1678 0.1678
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.6517 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0933 0.1432
Echinococcus granulosus lamin 0.0031 0.6517 0.6517
Echinococcus granulosus intermediate filament protein 0.0031 0.6517 0.6517
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.6327 0.9707
Schistosoma mansoni transcription factor LCR-F1 0.0042 1 1
Entamoeba histolytica hypothetical protein 0.0042 1 0.5
Echinococcus multilocularis musashi 0.0031 0.6517 0.6517
Loa Loa (eye worm) hypothetical protein 0.0031 0.6517 1
Echinococcus multilocularis lamin dm0 0.0031 0.6517 0.6517
Schistosoma mansoni lamin 0.0031 0.6517 0.6517
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.6517 0.6517
Onchocerca volvulus 0.0031 0.6517 1
Entamoeba histolytica hypothetical protein 0.0042 1 0.5
Entamoeba histolytica hypothetical protein 0.0042 1 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1678 0.2574
Schistosoma mansoni intermediate filament proteins 0.0031 0.6517 0.6517
Echinococcus granulosus lamin dm0 0.0031 0.6517 0.6517
Loa Loa (eye worm) intermediate filament protein 0.0031 0.6517 1
Onchocerca volvulus 0.0031 0.6517 1
Schistosoma mansoni hypothetical protein 0.0042 1 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.1124 0.1124
Loa Loa (eye worm) hypothetical protein 0.0015 0.0933 0.1432

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.7 nM Displacement of [3H]spiperone from wild type human dopamine D3 receptor expressed in HEK293 cells after 60 mins ChEMBL. 21388142
Ki (binding) = 250 nM Displacement of [3H]spiperone from human dopamine D3 receptor V2.61F mutant expressed in HEK293 cells after 60 mins ChEMBL. 21388142

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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