Detailed information for compound 450530

Basic information

Technical information
  • TDR Targets ID: 450530
  • Name: [(1S,3S)-1-amino-3-(4-octylphenyl)cyclopentyl ]methanol
  • MW: 303.482 | Formula: C20H33NO
  • H donors: 2 H acceptors: 1 LogP: 5.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCc1ccc(cc1)[C@H]1CC[C@@](C1)(N)CO
  • InChi: 1S/C20H33NO/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-14-20(21,15-19)16-22/h9-12,19,22H,2-8,13-16,21H2,1H3/t19-,20-/m0/s1
  • InChiKey: BLASFTPNKGQBNF-PMACEKPBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(1S,3S)-1-azanyl-3-(4-octylphenyl)cyclopentyl]methanol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0038 0.0962 0.0902
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.8529 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0066 0.0066
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0208 0.8529 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0066 0.5
Brugia malayi steroid hormone receptor 0.0018 0.0066 0.0066
Giardia lamblia Rrm3p helicase 0.0208 0.8529 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0962 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0066 0.0066
Entamoeba histolytica DNA repair and recombination protein, putative 0.0208 0.8529 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0208 0.8529 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0962 0.1059
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0415 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0066 0.0066
Onchocerca volvulus 0.0018 0.0066 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0208 0.8529 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0066 0.0066
Schistosoma mansoni hypothetical protein 0.0208 0.8529 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0066 0.0066
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0208 0.8529 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0962 0.1059
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0962 0.1059
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0066 0.0066
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0066 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0962 0.1059
Loa Loa (eye worm) hypothetical protein 0.0026 0.0415 0.0352
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0962 0.1059
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0208 0.8529 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0208 0.8529 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0066 0.0066
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0066 0.0066
Entamoeba histolytica hypothetical protein, conserved 0.0208 0.8529 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0415 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0208 0.8529 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0066 0.0066
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0415 0.5
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0962 0.0674
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0962 0.1059
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0962 0.0962
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0208 0.8529 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0962 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0066 0.0066
Brugia malayi nuclear hormone receptor 0.0018 0.0066 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0066 0.0066
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0962 0.1059
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0066 0.0066
Brugia malayi hypothetical protein 0.0026 0.0415 0.0415
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0241 1 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0962 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0066 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0066 0.0066
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0066 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0066 0.0066
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0962 0.1059
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0415 0.5
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0208 0.8529 1
Brugia malayi nuclear receptor NHR-88 0.0018 0.0066 0.0066
Brugia malayi ecdysteroid receptor 0.0018 0.0066 0.0066
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0066 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Inhibition of mouse Sphk2 expressed in HEK293T cells ChEMBL. 17994678

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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