Detailed information for compound 1768293

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.322 | Formula: C13H18N6
  • H donors: 2 H acceptors: 3 LogP: 0.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1NCC2(C1)CCN(CC2)c1ncnc2c1nc[nH]2
  • InChi: 1S/C13H18N6/c1-4-14-7-13(1)2-5-19(6-3-13)12-10-11(16-8-15-10)17-9-18-12/h8-9,14H,1-7H2,(H,15,16,17,18)
  • InChiKey: NXTAKYPUGGTAGV-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
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase (cyclophilin- 40), putative 0.0056 0.3832 1
Onchocerca volvulus 0.0022 0 0.5
Schistosoma mansoni peptidyl-prolyl cis-trans isomerase G ppig 0.011 1 1
Echinococcus multilocularis peptidyl prolyl isomerase G 0.011 1 1
Trypanosoma cruzi 40 kDa cyclophilin, putative 0.0056 0.3832 1
Brugia malayi cyclophilin-type peptidyl-prolyl cis-trans isomerase-15, Bmcyp-5 0.0022 0 0.5
Plasmodium vivax peptidyl-prolyl cis-trans isomerase 11, putative 0.0022 0 0.5
Loa Loa (eye worm) CYN-5 protein 0.0022 0 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0056 0.3832 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase 0.0022 0 0.5
Trichomonas vaginalis cyclophillin, putative 0.0056 0.3832 0.3832
Loa Loa (eye worm) cyclophilin-type peptidyl-prolyl cis-trans isomerase-18 0.0022 0 0.5
Giardia lamblia Peptidyl-prolyl cis-trans isomerase B precursor 0.0022 0 0.5
Brugia malayi cyclophilin-type peptidyl-prolyl cis-trans isomerase-6, Bmcyp-6 0.0022 0 0.5
Brugia malayi cyclophilin-type peptidyl-prolyl cis-trans isomerase-18, Bmcyp-18 0.0022 0 0.5
Trypanosoma cruzi rotamase, putative 0.0056 0.3832 1
Leishmania major cyclophilin 40 0.0056 0.3832 1
Trichomonas vaginalis peptidyl-prolyl cis-trans isomerase A, ppia, putative 0.011 1 1
Loa Loa (eye worm) cyclophilin-type peptidyl-prolyl cis-trans isomerase-15 0.0022 0 0.5
Schistosoma mansoni peptidyl-prolyl cis-trans isomerase G ppig 0.011 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 3 % Inhibition of p38alpha (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 6 % Inhibition of INSR (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 17 % Inhibition of MET (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 21 % Inhibition of CK1delta (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 38 % Inhibition of ERK2 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 39 % Inhibition of GSK3beta (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 39 % Inhibition of ERK1 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 41 % Inhibition of MAPKAPK5 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 59 % Inhibition of AURA (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 61 % Inhibition of SRC (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 64 % Inhibition of CHK2 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 65 % Inhibition of LYN (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 66 % Inhibition of MK2 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 70 % Inhibition of AKT2 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 77 % Inhibition of RSK1 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 80 % Inhibition of ABL (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 80 % Inhibition of PKD2 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 84 % Inhibition of CHK1 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 84 % Inhibition of FYN (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 86 % Inhibition of LCK (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 94 % Inhibition of MSK1 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481
Inhibition (binding) = 94 % Inhibition of AKT1 (unknown origin) at 30 uM by microfluidic mobility shift assay relative to control ChEMBL. 23920481

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

1 literature reference was collected for this gene.

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