Detailed information for compound 1747933

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.511 | Formula: C23H32N2O4
  • H donors: 2 H acceptors: 1 LogP: 2.96 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OCCCCCCN[C@H]2CCCc3c2ccc(=O)[nH]3)ccc1OC
  • InChi: 1S/C23H32N2O4/c1-27-21-12-10-17(16-22(21)28-2)29-15-6-4-3-5-14-24-19-8-7-9-20-18(19)11-13-23(26)25-20/h10-13,16,19,24H,3-9,14-15H2,1-2H3,(H,25,26)/t19-/m0/s1
  • InChiKey: WBVHGYOQOZCEPK-IBGZPJMESA-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 rab protein 3 0.0049 0.0286 0.0286
Entamoeba histolytica protein kinase, putative 0.0047 0.0267 0.075
Loa Loa (eye worm) STE/STE20/MST protein kinase 0.1253 1 1
Echinococcus multilocularis myosin iiia 0.0296 0.2274 0.2274
Schistosoma mansoni serine/threonine protein kinase 0.0455 0.3564 0.464
Entamoeba histolytica protein kinase, putative 0.0455 0.3564 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0014 0 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0019 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.0049 0.0286 0.0803
Entamoeba histolytica serine/threonine-protein kinase 3, putative 0.0296 0.2274 0.6381
Trichomonas vaginalis GTP binding protein rare7l, putative 0.0049 0.0286 0.0775
Echinococcus multilocularis leucine rich repeat serine:threonine protein 0.1157 0.9228 0.9228
Giardia lamblia Kinase, STE STE20 0.0296 0.2274 0.5
Trypanosoma cruzi Rab-like 5, small G protein 0.0049 0.0286 0.1258
Leishmania major protein kinase, putative 0.0296 0.2274 1
Leishmania major hypothetical protein, conserved 0.0049 0.0286 0.1258
Onchocerca volvulus 0.0049 0.0286 0.5
Echinococcus granulosus leucine rich repeat serine:threonine protein 0.1165 0.9291 0.9291
Echinococcus multilocularis ras-related protein rab-5 0.0049 0.0286 0.0286
Plasmodium falciparum protein kinase, putative 0.0455 0.3564 1
Loa Loa (eye worm) TKL/LRRK protein kinase 0.1157 0.9228 0.9206
Brugia malayi Protein kinase domain containing protein 0.1157 0.9228 0.9206
Echinococcus granulosus serine:threonine protein kinase 3 0.1253 1 1
Trypanosoma brucei STE20-like serine/threonine-protein kinase 1, putative 0.0296 0.2274 1
Echinococcus granulosus rab protein 3 0.0049 0.0286 0.0286
Entamoeba histolytica hypothetical protein 0.0049 0.0286 0.0803
Trichomonas vaginalis STE family protein kinase 0.0455 0.3564 1
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0047 0.0267 0.0267
Trichomonas vaginalis STE family protein kinase 0.0455 0.3564 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0286 0.0775
Echinococcus multilocularis GTP binding protein Parf 0.0049 0.0286 0.0286
Echinococcus multilocularis serine:threonine protein kinase 3 0.1253 1 1
Echinococcus granulosus GTP binding protein Parf 0.0049 0.0286 0.0286
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0296 0.2274 1
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0361 0.2806 0.2594
Trypanosoma cruzi STE/STE20 serine/threonine-protein kinase, putative 0.0296 0.2274 1
Trypanosoma brucei Rab-like 5, small G protein 0.0049 0.0286 0.1258
Plasmodium falciparum ras-related protein Rab-5A 0.0049 0.0286 0.0803
Leishmania major hypothetical protein, conserved 0.0049 0.0286 0.1258
Schistosoma mansoni ste20-related kinase 0.0965 0.768 1
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0286 0.1258
Entamoeba histolytica serine/threonine protein kinase STE20, putative 0.0296 0.2274 0.6381
Plasmodium vivax serine/threonine-specific protein kinase, putative 0.0455 0.3564 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0047 0.0267 0.0267
Trichomonas vaginalis STE family protein kinase 0.0296 0.2274 0.637
Schistosoma mansoni hypothetical protein 0.0049 0.0286 0.0372
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0286 0.1258
Onchocerca volvulus Mitochondrial Rho GTPase homolog 0.0049 0.0286 0.5
Echinococcus granulosus serine threonine protein kinase 0.0455 0.3564 0.3564
Echinococcus multilocularis serine threonine protein kinase 0.0455 0.3564 0.3564
Loa Loa (eye worm) STE/STE20/YSK protein kinase 0.0455 0.3564 0.3374
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0047 0.0267 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0361 0.2806 0.3654
Entamoeba histolytica protein kinase, putative 0.0047 0.0267 0.075
Brugia malayi Protein kinase domain containing protein 0.0361 0.2806 0.2594
Entamoeba histolytica hypothetical protein 0.0015 0.0011 0.003
Trichomonas vaginalis hypothetical protein 0.0049 0.0286 0.0775
Schistosoma mansoni serine/threonine protein kinase 0.0047 0.0267 0.0348
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0047 0.0267 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0286 0.1258

Activities

No activities found for this compound.

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

No literature references available for this target.

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