Detailed information for compound 1654585

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.408 | Formula: C18H23N5O
  • H donors: 2 H acceptors: 3 LogP: 2.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@H]1NCCN(C1)c1cccc(n1)C(=O)c1cccnc1N)C
  • InChi: 1S/C18H23N5O/c1-12(2)15-11-23(10-9-20-15)16-7-3-6-14(22-16)17(24)13-5-4-8-21-18(13)19/h3-8,12,15,20H,9-11H2,1-2H3,(H2,19,21)/t15-/m0/s1
  • InChiKey: BKGOJJMSFNDNJN-HNNXBMFYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase C, theta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Onchocerca volvulus Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
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
Giardia lamblia Alanyl dipeptidyl peptidase 0.0129 0.0666 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0129 0.0666 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.0666 0.0666
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.0666 0.0666
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0129 0.0666 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0129 0.0666 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0545 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0417 0.2467 0.2467
Loa Loa (eye worm) hypothetical protein 0.0129 0.0666 0.0666
Entamoeba histolytica hypothetical protein, conserved 0.0129 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0176 0.0961 0.0961
Loa Loa (eye worm) hypothetical protein 0.0129 0.0666 0.0666
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0666 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0129 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.0666 0.0666
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.0666 0.0666
Echinococcus granulosus prolyl endopeptidase 0.0129 0.0666 0.0666
Plasmodium falciparum peptidase, putative 0.0129 0.0666 0.5
Brugia malayi hypothetical protein 0.0417 0.2467 0.2467
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1622 1 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0129 0.0666 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1622 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0545 0.3271 0.3271
Loa Loa (eye worm) hypothetical protein 0.0167 0.0904 0.0904
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0129 0.0666 0.0666
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0545 0.3271 0.3271
Echinococcus granulosus acylamino acid releasing enzyme 0.0129 0.0666 0.0666
Echinococcus granulosus Dipeptidyl peptidase 9 0.0545 0.3271 0.3271
Mycobacterium tuberculosis Probable peptidase 0.0129 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0985 0.0985
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0545 0.3271 1
Onchocerca volvulus 0.0167 0.0904 0.0256
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0129 0.0666 0.5
Echinococcus multilocularis acylamino acid releasing enzyme 0.0129 0.0666 0.0666
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0545 0.3271 0.3271
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.0666 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0129 0.0666 0.0666
Loa Loa (eye worm) prolyl oligopeptidase 0.0129 0.0666 0.0666
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1622 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.0666 0.0666
Loa Loa (eye worm) prolyl oligopeptidase 0.1622 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0129 0.0666 0.0666
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1622 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0129 0.0666 0.0666
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.0666 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0545 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0904 0.0904
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0545 0.3271 1
Plasmodium vivax hypothetical protein, conserved 0.0129 0.0666 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0129 0.0666 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0129 0.0666 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0545 0.3271 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0129 0.0666 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0545 0.3271 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.0904 0.0904

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.275 uM Inhibition of PKCtheta ChEMBL. 22738630

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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