Detailed information for compound 270657

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.332 | Formula: C15H21NO3
  • H donors: 1 H acceptors: 0 LogP: 1.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C12CNCC1CC2(OC)OC
  • InChi: 1S/C15H21NO3/c1-17-13-6-4-5-11(7-13)14-10-16-9-12(14)8-15(14,18-2)19-3/h4-7,12,16H,8-10H2,1-3H3
  • InChiKey: KGWODNRNRFIFHO-UHFFFAOYSA-N  

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 0.0177 0.0264 0.0695
Loa Loa (eye worm) DPY-31 protein 0.0177 0.0264 0.0011
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0353 0.1625 0.6037
Loa Loa (eye worm) bone morphogenetic protein 1b 0.1436 1 1
Loa Loa (eye worm) matrixin family protein 0.0269 0.0974 0.0739
Echinococcus multilocularis Tolloid protein 1 0.1436 1 1
Brugia malayi Matrixin family protein 0.0269 0.0974 0.3433
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0435 0.2262 0.8584
Loa Loa (eye worm) hypothetical protein 0.0286 0.1105 0.0874
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0177 0.0264 0.0597
Brugia malayi gamma-secretase subunit aph-1 0.0248 0.0814 0.2793
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0404 0.202 0.1588
Loa Loa (eye worm) hypothetical protein 0.0435 0.2262 0.2061
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0248 0.0814 0.0575
Loa Loa (eye worm) hypothetical protein 0.0435 0.2262 0.2061
Loa Loa (eye worm) AStacin protease 0.0881 0.571 0.5599
Brugia malayi Trypsin family protein 0.0286 0.1105 0.3958
Echinococcus granulosus gamma secretase subunit aph 1 0.0248 0.0814 0.0316
Loa Loa (eye worm) matrixin family protein 0.0246 0.0802 0.0563
Schistosoma mansoni egf-like domain protein 0.0435 0.2262 0.2262
Loa Loa (eye worm) hypothetical protein 0.0481 0.2617 0.2425
Schistosoma mansoni gamma-secretase subunit aph-1 0.0248 0.0814 0.0814
Loa Loa (eye worm) hypothetical protein 0.0286 0.1105 0.0874
Onchocerca volvulus Arrow homolog 0.0435 0.2262 1
Schistosoma mansoni integrin alpha-ps 0.0209 0.0514 0.0514
Echinococcus granulosus laminin 0.0481 0.2617 0.2217
Toxoplasma gondii calcium binding egf domain-containing protein 0.0481 0.2617 0.5
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0481 0.2617 0.2425
Onchocerca volvulus Putative cubilin 0.0175 0.0253 0.0645
Echinococcus multilocularis laminin 0.0481 0.2617 0.2217
Brugia malayi Nematode astacin protease protein 30 0.0177 0.0264 0.0597
Loa Loa (eye worm) hypothetical protein 0.0257 0.0887 0.065
Echinococcus multilocularis integrin alpha 3 0.0358 0.1662 0.121
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0177 0.0264 0.0011
Toxoplasma gondii calcium binding egf domain-containing protein 0.0481 0.2617 0.5
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.1436 1 1
Loa Loa (eye worm) integrin alpha pat-2 0.0719 0.4457 0.4313
Schistosoma mansoni hypothetical protein 0.0158 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.1379 0.9557 0.9545
Onchocerca volvulus 0.0286 0.1105 0.4611
Brugia malayi Fibulin-1 precursor 0.0481 0.2617 1
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0177 0.0264 0.0597
Onchocerca volvulus Matrix metalloproteinase homolog 0.0246 0.0802 0.32
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0286 0.1105 0.1105
Brugia malayi Calcium binding EGF domain containing protein 0.0175 0.0253 0.0554
Brugia malayi Integrin alpha pat-2 precursor 0.0467 0.2504 0.9549
Loa Loa (eye worm) hypothetical protein 0.0353 0.1625 0.1408
Loa Loa (eye worm) hypothetical protein 0.0177 0.0264 0.0011
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0405 0.2029 0.2029
Loa Loa (eye worm) hypothetical protein 0.0601 0.3541 0.3373
Echinococcus multilocularis fibrillin 1 0.0481 0.2617 0.2217
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0404 0.202 0.1588
Brugia malayi Nematode astacin protease protein 30 0.0177 0.0264 0.0597
Loa Loa (eye worm) hypothetical protein 0.0366 0.1729 0.1514
Brugia malayi Calcium binding EGF domain containing protein 0.0481 0.2617 1
Echinococcus multilocularis gamma secretase subunit aph 1 0.0248 0.0814 0.0316
Schistosoma mansoni integrin alpha 0.0467 0.2504 0.2504
Brugia malayi astacin protease protein 30 0.0177 0.0264 0.0597
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0435 0.2262 0.2061
Onchocerca volvulus 0.0262 0.0926 0.3776
Echinococcus granulosus integrin alpha 3 0.0358 0.1662 0.121
Onchocerca volvulus Matrilysin homolog 0.0246 0.0802 0.32

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 25 mg kg-1 Analgesic activity of intraperitoneally administered compound was determined by the inflamed rat-paw reversal of abnormal (three-legged) gait ChEMBL. 6325691

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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