Detailed information for compound 955423

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 665.265 | Formula: C36H49ClN6O4
  • H donors: 0 H acceptors: 1 LogP: 5.76 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(Oc1ccccc1N1CCN(CC1)CCCCCCn1ncc(c(c1=O)Cl)N1CCN(CC1)CC1COc2c(O1)cccc2)C
  • InChi: 1S/C36H49ClN6O4/c1-28(2)46-32-12-6-5-11-30(32)41-21-17-39(18-22-41)15-9-3-4-10-16-43-36(44)35(37)31(25-38-43)42-23-19-40(20-24-42)26-29-27-45-33-13-7-8-14-34(33)47-29/h5-8,11-14,25,28-29H,3-4,9-10,15-24,26-27H2,1-2H3
  • InChiKey: LEISAHGPHFOWKZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Echinococcus granulosus glycogen synthase kinase 3 beta 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0047 0.0037 0.0037
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0075 0.0248 0.0248
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.1356 1 1
Plasmodium falciparum glycogen synthase kinase 3 0.1356 1 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma cruzi target of rapamycin kinase 3 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Entamoeba histolytica protein kinase, putative 0.1356 1 1
Echinococcus granulosus protein kinase shaggy 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma brucei protein kinase, putative 0.1356 1 1
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.1071 0.783 0.783
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.1356 1 1
Giardia lamblia Kinase, CMGC GSK 0.1356 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0075 0.0248 0.0248
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0075 0.0248 0.0248
Entamoeba histolytica protein kinase domain containing protein 0.1356 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0075 0.0248 0.0248
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Giardia lamblia Kinase, CMGC GSK 0.1356 1 1
Echinococcus multilocularis protein kinase shaggy 0.1356 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0075 0.0248 0.0248
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1356 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0075 0.0248 0.0248
Trypanosoma cruzi hypothetical protein, conserved 0.0374 0.253 0.253
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Onchocerca volvulus 0.1356 1 0.5
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0037 0.0037
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0075 0.0248 0.0248
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0075 0.0248 0.0248
Trichomonas vaginalis CMGC family protein kinase 0.1356 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0248 0.0248
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis CMGC family protein kinase 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0075 0.0248 0.0248
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0075 0.0248 0.0248
Toxoplasma gondii target of rapamycin (TOR), putative 0.0075 0.0248 0.0248
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.1356 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.1356 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0037 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0075 0.0248 0.0248
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0075 0.0248 0.0248
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0047 0.0037 0.0037
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Entamoeba histolytica protein kinase domain containing protein 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.1356 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Leishmania major hypothetical protein, conserved 0.0389 0.264 0.2453
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0037 0.0037
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1071 0.783 0.783
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Trichomonas vaginalis PIKK family atypical protein kinase 0.0075 0.0248 0.0248
Loa Loa (eye worm) CMGC/GSK protein kinase 0.1356 1 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.