Detailed information for compound 1705335

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.469 | Formula: C22H27N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1N(Cc2ccccn2)[C@H]([C@H]1c1ccccc1)CNC(=O)C1CCC1
  • InChi: 1S/C22H27N3O2/c26-15-20-21(16-7-2-1-3-8-16)19(13-24-22(27)17-9-6-10-17)25(20)14-18-11-4-5-12-23-18/h1-5,7-8,11-12,17,19-21,26H,6,9-10,13-15H2,(H,24,27)/t19-,20+,21+/m0/s1
  • InChiKey: UIWMPEMTOGIUIE-PWRODBHTSA-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
Loa Loa (eye worm) hypothetical protein 0.0161 0.2115 0.2115
Giardia lamblia ABC transporter, putative 0.0014 0.0002 1
Echinococcus granulosus glutathione S transferase 0.0098 0.121 0.1441
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Onchocerca volvulus 0.0161 0.2115 0.5
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Schistosoma mansoni GST class-mu 0.0259 0.3525 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0002 0.5
Echinococcus multilocularis glutathione S transferase 0.0214 0.2889 0.8195
Echinococcus granulosus glutathione s transferase mu 0.0259 0.3525 0.4202
Echinococcus granulosus glutathione S transferase 0.0161 0.2115 0.2521
Echinococcus granulosus glutathione S transferase 0.0098 0.121 0.1441
Plasmodium falciparum glutathione S-transferase 0.0259 0.3525 1
Trichomonas vaginalis glutaminyl-tRNA synthetase, putative 0.0161 0.2115 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0014 0.0002 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Echinococcus multilocularis glutathione S transferase 0.0259 0.3525 1
Schistosoma mansoni elongation factor 1-gamma 0.0058 0.0641 0.1814
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Plasmodium vivax glutathione S-transferase, putative 0.0214 0.2889 1
Leishmania major hypothetical protein, conserved 0.0054 0.0574 0.8957
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.0214 0.2889 0.8195
Leishmania major elongation factor 1-gamma, putative 0.0058 0.0641 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0002 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0014 0.0002 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Echinococcus multilocularis eukaryotic translation elongation factor 1 0.0058 0.0641 0.1814
Entamoeba histolytica hypothetical protein 0.0014 0.0002 0.5
Echinococcus multilocularis glutathione S-transferase 0.0259 0.3525 1
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0014 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0708 1 1
Brugia malayi Glutathione S-transferase 4 0.0161 0.2115 0.2114
Toxoplasma gondii elongation factor 1-gamma, putative 0.0058 0.0641 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0002 0.5
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0214 0.2889 0.8195
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Entamoeba histolytica ABC transporter, putative 0.0014 0.0002 0.5
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Echinococcus multilocularis glutathione S transferase 0.0205 0.2751 0.7805
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Entamoeba histolytica ATP-binding cassette protein, putative 0.0014 0.0002 0.5
Echinococcus multilocularis glutathione S transferase 0.0098 0.121 0.343
Echinococcus granulosus eukaryotic translation elongation factor 1 0.0058 0.0641 0.0762
Echinococcus multilocularis glutathione S transferase 0.0259 0.3525 1
Echinococcus granulosus prostaglandin H2 D isomerase 0.0214 0.2889 0.3444
Echinococcus granulosus glutathione S transferase Mu 1 0.0596 0.8386 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Leishmania major elongation factor-1 gamma 0.0058 0.0641 1
Giardia lamblia MRP-like ABC transporter 0.0014 0.0002 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Echinococcus granulosus glutathione S transferase 0.0259 0.3525 0.4202
Trypanosoma brucei elongation factor 1 gamma, putative 0.0058 0.0641 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0054 0.0574 0.8957
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Trypanosoma brucei hypothetical protein, conserved 0.0054 0.0574 0.8957
Echinococcus multilocularis glutathione s transferase mu 0.0259 0.3525 1
Echinococcus multilocularis glutathione S transferase 0.0098 0.121 0.343
Loa Loa (eye worm) hypothetical protein 0.0014 0.0002 0.0002
Trypanosoma brucei elongation factor 1 gamma, putative 0.0058 0.0641 1
Echinococcus multilocularis glutathione S transferase 0.0205 0.2751 0.7805
Schistosoma mansoni glutathione-S-transferase 0.0259 0.3525 1
Trypanosoma cruzi elongation factor 1-gamma (EF-1-gamma), putative 0.0058 0.0641 1
Entamoeba histolytica multidrug resistance protein, putative 0.0014 0.0002 0.5

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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