Detailed information for compound 1670287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.391 | Formula: C19H23NO3
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CN1Cc2cc(OC)c(cc2CC1C)O
  • InChi: 1S/C19H23NO3/c1-13-7-15-9-18(21)19(23-3)10-16(15)12-20(13)11-14-5-4-6-17(8-14)22-2/h4-6,8-10,13,21H,7,11-12H2,1-3H3
  • InChiKey: PSCWWZVWLSHDEI-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
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0034 0.2141 1
Echinococcus multilocularis phospholipase D 0.0087 0.8592 0.8592
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000010656 0.0000013208
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656
Echinococcus granulosus phospholipase D 0.0087 0.8592 0.8592
Echinococcus granulosus phospholipase D1 0.0098 1 1
Onchocerca volvulus Putative phospholipase D 0.0019 0.0208 1
Schistosoma mansoni transient receptor potential channel 0.0017 0.0000010656 0.0000010656
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0017 0 0.5
Echinococcus multilocularis phospholipase d3 0.0019 0.0208 0.0208
Brugia malayi Phospholipase D. Active site motif family protein 0.0034 0.2141 0.2141
Loa Loa (eye worm) hypothetical protein 0.0064 0.5791 0.7178
Schistosoma mansoni transient receptor potential channel 0.0017 0.0000010656 0.0000010656
Loa Loa (eye worm) phospholipase D 0.0019 0.0208 0.0258
Leishmania major phosphatidylglycerophosphate synthase, putative 0.0019 0.0208 1
Trypanosoma brucei cardiolipin synthetase, putative 0.0034 0.2141 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000010656 0.0000013208
Echinococcus granulosus phospholipase d3 0.0019 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0083 0.8068 1
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656
Loa Loa (eye worm) hypothetical protein 0.0017 0.0000010656 0.0000013208
Trypanosoma cruzi cardiolipin synthetase, putative 0.0034 0.2141 1
Entamoeba histolytica phospholipase D, putative 0.0098 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0208 0.0258
Loa Loa (eye worm) hypothetical protein 0.0064 0.5791 0.7178
Trypanosoma brucei cardiolipin synthetase 0.0034 0.2141 1
Schistosoma mansoni phospholipase D 0.0098 1 1
Brugia malayi Phospholipase D. Active site motif family protein 0.0019 0.0208 0.0208
Entamoeba histolytica phospholipase D, putative 0.0098 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656
Brugia malayi olfactory channel protein osm-9 0.0017 0.0000010656 0.0000010656
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656
Echinococcus multilocularis phospholipase D1 0.0098 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.8068 1
Trypanosoma cruzi cardiolipin synthetase, putative 0.0034 0.2141 1
Echinococcus granulosus transient receptor potential cation channel 0.0017 0.0000010656 0.0000010656

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 3.73 uM Antiproliferative activity against human DU145 cells at 96 hrs by WST1 assay ChEMBL. 22247790
IC50 (functional) = 2500 nM Antiproliferative activity against human CA46 cells ChEMBL. 22247790

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 22247790

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

No literature references available for this target.

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