Detailed information for compound 776227

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.54 | Formula: C23H33N5O3
  • H donors: 0 H acceptors: 3 LogP: 2.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CN(Cc1c(nc2n1cccc2)C(=O)N1CCN(CC1)C1CCCCC1)C
  • InChi: 1S/C23H33N5O3/c1-25(17-21(29)31-2)16-19-22(24-20-10-6-7-11-28(19)20)23(30)27-14-12-26(13-15-27)18-8-4-3-5-9-18/h6-7,10-11,18H,3-5,8-9,12-17H2,1-2H3
  • InChiKey: DDXQNXVFHCQOLD-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 peptidyl prolyl cis trans isomerase FKBP4 0.011 0.951 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.951 1
Leishmania major hypothetical protein, conserved 0.0024 0.0914 0.0961
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.011 0.951 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0914 0.0961
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0914 0.0914
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0914 0.0961
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.011 0.951 0.951
Trichomonas vaginalis immunophilin, putative 0.011 0.951 1
Schistosoma mansoni immunophilin 0.011 0.951 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.011 0.951 1
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0914 1
Schistosoma mansoni immunophilin 0.0095 0.7992 0.8404
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0914 0.0961
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.011 0.951 0.951
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.951 1
Echinococcus multilocularis fk506 binding protein 0.011 0.951 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.7992 0.8404
Schistosoma mansoni immunophilin 0.011 0.951 1
Loa Loa (eye worm) transcription factor SMAD2 0.0115 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.011 0.951 1
Loa Loa (eye worm) FKBP5 protein 0.011 0.951 0.951
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.011 0.951 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.011 0.951 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.011 0.951 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.011 0.951 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.011 0.951 1
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0914 0.0961
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.011 0.951 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0015 0 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0095 0.7992 0.8404
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.951 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0015 0 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.011 0.951 1
Leishmania major peptidylprolyl isomerase-like protein 0.011 0.951 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.011 0.951 1
Brugia malayi hypothetical protein 0.0024 0.0914 0.0914
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0015 0 0.5
Leishmania major fk506-binding protein 1-like protein 0.011 0.951 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.011 0.951 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.7992 0.7992
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.011 0.951 1
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0015 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0914 0.0961
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.011 0.951 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.011 0.951 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.011 0.951 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0015 0 0.5
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.011 0.951 0.951
Brugia malayi hypothetical protein 0.0016 0.0052 0.0052
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0914 0.0961
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.011 0.951 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.

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