Detailed information for compound 1845785

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.872 | Formula: C21H24ClNO5
  • H donors: 1 H acceptors: 1 LogP: 2.82 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)ccc2c1C[N@+]1(C)CCc3c([C@@H]1[C@H]2O)cc1c(c3)OCO1.[Cl-]
  • InChi: 1S/C21H24NO5.ClH/c1-22-7-6-12-8-17-18(27-11-26-17)9-14(12)19(22)20(23)13-4-5-16(24-2)21(25-3)15(13)10-22;/h4-5,8-9,19-20,23H,6-7,10-11H2,1-3H3;1H/q+1;/p-1/t19-,20+,22+;/m1./s1
  • InChiKey: UDKONGVVEPRSGD-YBSNCERTSA-M  

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
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0267 0.5157 0.5157
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Mycobacterium ulcerans hypothetical protein 0.0385 1 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Onchocerca volvulus 0.0385 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0267 0.5157 0.5157
Brugia malayi Trypsin family protein 0.0385 1 1
Onchocerca volvulus 0.0385 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0267 0.5157 0.5157
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0267 0.5157 0.5157
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0267 0.5157 0.5157
Brugia malayi nuclear hormone receptor 0.0267 0.5157 0.5157
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0267 0.5157 0.5157
Schistosoma mansoni thyroid hormone receptor 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0267 0.5157 0.5157
Schistosoma mansoni nuclear hormone receptor 0.0267 0.5157 0.5157
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0267 0.5157 0.5157
Brugia malayi Trypsin family protein 0.0385 1 1
Echinococcus multilocularis transmembrane protease serine 3 0.0385 1 1
Schistosoma mansoni hypothetical protein 0.0385 1 1
Onchocerca volvulus 0.0385 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Echinococcus multilocularis enteropeptidase 0.0385 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0267 0.5157 0.5157
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0267 0.5157 0.5157
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0385 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0267 0.5157 0.5157
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0385 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0267 0.5157 0.5157
Brugia malayi steroid hormone receptor 0.0267 0.5157 0.5157
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0267 0.5157 0.5157
Brugia malayi Steroid receptor seven-up type 2 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0267 0.5157 0.5157
Echinococcus granulosus transmembrane protease serine 3 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0267 0.5157 0.5157
Onchocerca volvulus 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0267 0.5157 0.5157
Brugia malayi nuclear receptor NHR-88 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0267 0.5157 0.5157
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Echinococcus granulosus Mastin 0.0385 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0385 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0267 0.5157 0.5157
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0267 0.5157 0.5157
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0267 0.5157 0.5157
Echinococcus multilocularis Mastin 0.0385 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0267 0.5157 0.5157
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0267 0.5157 0.5157
Onchocerca volvulus 0.0385 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0267 0.5157 0.5157
Schistosoma mansoni hypothetical protein 0.0385 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0267 0.5157 0.5157
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Echinococcus granulosus glycoprotein Antigen 5 0.0385 1 1
Echinococcus granulosus FTZ F1 alpha 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0267 0.5157 0.5157
Echinococcus granulosus enteropeptidase 0.0385 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0267 0.5157 0.5157
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0267 0.5157 0.5157
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0267 0.5157 0.5157
Brugia malayi ecdysteroid receptor 0.0267 0.5157 0.5157
Onchocerca volvulus 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0267 0.5157 0.5157
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0385 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Loa Loa (eye worm) trypsin family protein 0.0385 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0267 0.5157 0.5157
Brugia malayi Trypsin family protein 0.0385 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0267 0.5157 0.5157
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Schistosoma mansoni thyroid hormone receptor 0.0267 0.5157 0.5157
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0267 0.5157 0.5157
Loa Loa (eye worm) hypothetical protein 0.0267 0.5157 0.5157
Schistosoma mansoni coup transcription factor 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor-like 1 0.0267 0.5157 0.5157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0267 0.5157 0.5157
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0267 0.5157 0.5157
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0267 0.5157 0.5157
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0385 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0267 0.5157 0.5157
Echinococcus multilocularis glycoprotein Antigen 5 0.0385 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0267 0.5157 0.5157
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0267 0.5157 0.5157
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0385 1 1
Loa Loa (eye worm) hypothetical protein 0.0385 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0267 0.5157 0.5157
Brugia malayi Trypsin-like protease protein 5 0.0385 1 1
Brugia malayi hypothetical protein 0.0385 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0385 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0267 0.5157 0.5157
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0267 0.5157 0.5157

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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