Detailed information for compound 67458

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 243.344 | Formula: C16H21NO
  • H donors: 0 H acceptors: 1 LogP: 3.03 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC2CCCC(C1)(C2)N(c1ccccc1)C
  • InChi: 1S/C16H21NO/c1-17(14-7-3-2-4-8-14)16-9-5-6-13(11-16)10-15(18)12-16/h2-4,7-8,13H,5-6,9-12H2,1H3
  • InChiKey: VAEQXUDYNZRRJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0055 0.1279 0.1699
Echinococcus granulosus follistatin 0.0037 0.0704 0.0674
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Toxoplasma gondii transporter, major facilitator family protein 0.0055 0.1279 1
Onchocerca volvulus 0.0055 0.1279 0.1699
Entamoeba histolytica hypothetical protein 0.0036 0.0647 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0704 0.5385
Trypanosoma cruzi MFS transporter, putative 0.0055 0.1279 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Onchocerca volvulus 0.0055 0.1279 0.1699
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0293 0.2092
Loa Loa (eye worm) hypothetical protein 0.0025 0.0293 0.0262
Brugia malayi hypothetical protein 0.0036 0.0647 0.0647
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0164 0.4919 0.4903
Schistosoma mansoni organic anion transporter 0.0055 0.1279 0.2495
Entamoeba histolytica hypothetical protein 0.0036 0.0647 0.5
Brugia malayi hypothetical protein 0.0055 0.1279 0.1279
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0704 0.5385
Loa Loa (eye worm) hypothetical protein 0.0037 0.0704 0.0674
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Brugia malayi hypothetical protein 0.0055 0.1279 0.1279
Brugia malayi SPARC precursor 0.0037 0.0704 0.0704
Schistosoma mansoni hypothetical protein 0.0036 0.0647 0.123
Leishmania major hypothetical protein, conserved 0.0025 0.0293 1
Entamoeba histolytica hypothetical protein 0.0036 0.0647 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0647 0.5
Echinococcus multilocularis zinc finger transcription factor gli2 0.0317 1 1
Onchocerca volvulus 0.0129 0.3748 0.5065
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0293 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Toxoplasma gondii protease inhibitor PI2 0.0037 0.0704 0.5385
Brugia malayi hypothetical protein 0.0025 0.0293 0.0293
Echinococcus multilocularis follistatin 0.0037 0.0704 0.0674
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.3386 0.3364
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0055 0.1279 0.1251
Echinococcus multilocularis jun protein 0.0164 0.4919 0.4903
Brugia malayi Pax transcription factor protein 2 0.0238 0.7369 0.7369
Brugia malayi sodium-independent organic anion transporter family protein 0.0055 0.1279 0.1279
Brugia malayi Protein kinase domain containing protein 0.0017 0.0033 0.0033
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0055 0.1279 0.1251
Schistosoma mansoni follistatin 0.0037 0.0704 0.1343
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0704 0.0704
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0647 0.0616
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.3386 0.3364
Brugia malayi hypothetical protein 0.0129 0.3748 0.3748
Onchocerca volvulus 0.0037 0.0704 0.0915
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0647 0.123
Echinococcus granulosus geminin 0.0167 0.503 0.5014
Brugia malayi prostaglandin transporter 0.0055 0.1279 0.1279
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0704 0.5385
Loa Loa (eye worm) hypothetical protein 0.0037 0.0704 0.0674
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0704 0.5385
Loa Loa (eye worm) pax transcription factor protein 2 0.0238 0.7369 0.736
Loa Loa (eye worm) hypothetical protein 0.016 0.477 0.4753
Loa Loa (eye worm) agrin synaptic family protein 0.0037 0.0704 0.0674
Loa Loa (eye worm) hypothetical protein 0.0037 0.0704 0.0674
Onchocerca volvulus 0.0055 0.1279 0.1699
Brugia malayi bZIP transcription factor family protein 0.0164 0.4919 0.4919
Echinococcus granulosus Solute carrier organic anion transporter family 0.0055 0.1279 0.1251
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0704 0.0704
Schistosoma mansoni hypothetical protein 0.0167 0.503 1
Echinococcus multilocularis geminin 0.0167 0.503 0.5014
Onchocerca volvulus 0.0055 0.1279 0.1699
Onchocerca volvulus Putative organic anion transporter 0.0055 0.1279 0.1699
Schistosoma mansoni agrin 0.0037 0.0704 0.1343
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0704 0.0704
Brugia malayi sodium-independent organic anion transporter family protein 0.0055 0.1279 0.1279
Schistosoma mansoni jun-related protein 0.0133 0.3898 0.7735
Onchocerca volvulus 0.0238 0.7369 1
Echinococcus multilocularis expressed protein 0.0037 0.0704 0.0674
Schistosoma mansoni hypothetical protein 0.0133 0.3898 0.7735
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0293 0.2092
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0293 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0704 0.0674
Brugia malayi MH2 domain containing protein 0.0118 0.3386 0.3386
Loa Loa (eye worm) zinc finger protein 0.0317 1 1
Schistosoma mansoni hypothetical protein 0.0167 0.503 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0055 0.1279 0.1279
Echinococcus granulosus zinc finger transcription factor gli2 0.0317 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0293 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0055 0.1279 0.1251
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0164 0.4919 0.4903
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0647 0.0616
Echinococcus granulosus agrin 0.0037 0.0704 0.0674
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0037 0.0704 0.0704
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0037 0.0704 0.0674
Brugia malayi Kringle domain containing protein 0.0017 0.0033 0.0033
Schistosoma mansoni organic anion transporter 0.0055 0.1279 0.2495
Onchocerca volvulus Putative organic anion transporter 0.0055 0.1279 0.1699
Brugia malayi secreted modular calcium-binding protein 1 0.0037 0.0704 0.0704
Echinococcus granulosus jun protein 0.0164 0.4919 0.4903
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0293 0.2092
Loa Loa (eye worm) hypothetical protein 0.0055 0.1279 0.1251
Echinococcus multilocularis agrin 0.0037 0.0704 0.0674
Onchocerca volvulus Putative organic anion transporter 0.0055 0.1279 0.1699
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0055 0.1279 0.1251
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0293 1

Activities

Activity type Activity value Assay description Source Reference
Ki app (binding) = 165 uM Compound was evaluated for its ability to inhibit the rotamase activity of FKBP-12 ChEMBL. No reference

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

No literature references available for this target.

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