Detailed information for compound 1466030

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 216.279 | Formula: C13H16N2O
  • H donors: 1 H acceptors: 2 LogP: 1.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)CCn1ccnc1C
  • InChi: 1S/C13H16N2O/c1-11-14-8-10-15(11)9-7-13(16)12-5-3-2-4-6-12/h2-6,8,10,13,16H,7,9H2,1H3
  • InChiKey: VPKNEJQIWRKBBS-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
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.064 0.0664 0.061
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.064 0.0664 0.0809
Trichomonas vaginalis conserved hypothetical protein 0.0308 0.0057 0.0865
Trypanosoma cruzi hypothetical protein, conserved 0.064 0.0664 0.0809
Onchocerca volvulus 0.0308 0.0057 0.0073
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.4405 0.7554 0.754
Trypanosoma cruzi hypothetical protein, conserved 0.064 0.0664 0.0809
Onchocerca volvulus Prolyl endopeptidase homolog 0.064 0.0664 0.0843
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Schistosoma mansoni microtubule-associated protein tau 0.0783 0.0926 0.0873
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.5741 1 1
Echinococcus granulosus prolyl endopeptidase 0.064 0.0664 0.061
Trypanosoma cruzi prolyl endopeptidase 0.064 0.0664 0.0809
Brugia malayi prolyl oligopeptidase family protein 0.4578 0.7871 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.064 0.0664 0.061
Loa Loa (eye worm) prolyl oligopeptidase 0.064 0.0664 0.0776
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.064 0.0664 0.1377
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.064 0.0664 0.0809
Trichomonas vaginalis conserved hypothetical protein 0.0308 0.0057 0.0865
Plasmodium falciparum peptidase, putative 0.064 0.0664 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.064 0.0664 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.4405 0.7554 0.754
Plasmodium vivax hypothetical protein, conserved 0.064 0.0664 0.5
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0308 0.0057 0.0865
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.064 0.0664 0.5
Brugia malayi prolyl oligopeptidase family protein 0.4405 0.7554 0.9595
Brugia malayi prolyl oligopeptidase family protein 0.064 0.0664 0.0776
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.064 0.0664 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.4405 0.7554 1
Brugia malayi prolyl oligopeptidase family protein 0.064 0.0664 0.0776
Entamoeba histolytica hypothetical protein, conserved 0.064 0.0664 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.4578 0.7871 1
Echinococcus multilocularis microtubule associated protein 2 0.0783 0.0926 0.0873
Entamoeba histolytica prolyl oligopeptidase family protein 0.064 0.0664 1
Loa Loa (eye worm) hypothetical protein 0.2331 0.3758 0.4737
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.4405 0.7554 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.4405 0.7554 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.064 0.0664 0.061
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.4578 0.7871 0.7859
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Trichomonas vaginalis conserved hypothetical protein 0.064 0.0664 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Brugia malayi hypothetical protein 0.2074 0.3289 0.4135
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Echinococcus multilocularis prolyl endopeptidase 0.064 0.0664 0.061
Echinococcus granulosus microtubule associated protein 2 0.0783 0.0926 0.0873
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.064 0.0664 0.061
Loa Loa (eye worm) hypothetical protein 0.2074 0.3289 0.4135
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.064 0.0664 1
Mycobacterium tuberculosis Probable peptidase 0.064 0.0664 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.4405 0.7554 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.2714 0.446 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.064 0.0664 1
Trichomonas vaginalis lysosomal pro-X carboxypeptidase, putative 0.0308 0.0057 0.0865
Trichomonas vaginalis prolylcarboxypeptidase, putative 0.0308 0.0057 0.0865
Entamoeba histolytica prolyl oligopeptidase family protein 0.064 0.0664 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.4578 0.7871 0.7859
Giardia lamblia Alanyl dipeptidyl peptidase 0.064 0.0664 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.064 0.0664 0.061
Echinococcus granulosus acylamino acid releasing enzyme 0.064 0.0664 0.061
Toxoplasma gondii prolyl endopeptidase 0.064 0.0664 0.1377
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.064 0.0664 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.4578 0.7871 1
Toxoplasma gondii hypothetical protein 0.064 0.0664 0.1377
Loa Loa (eye worm) hypothetical protein 0.064 0.0664 0.0776
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.064 0.0664 1
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Giardia lamblia Alanyl dipeptidyl peptidase 0.064 0.0664 1
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.5741 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.4405 0.7554 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.4578 0.7871 0.7859
Loa Loa (eye worm) hypothetical protein 0.064 0.0664 0.0776
Trichomonas vaginalis Clan SC, family S28, unassigned serine peptidase 0.0308 0.0057 0.0865
Entamoeba histolytica prolyl oligopeptidase family protein 0.064 0.0664 1
Brugia malayi prolyl oligopeptidase family protein 0.064 0.0664 0.0776
Trypanosoma cruzi oligopeptidase b 0.064 0.0664 0.0809
Trypanosoma cruzi oligopeptidase b 0.064 0.0664 0.0809
Echinococcus granulosus Dipeptidyl peptidase 9 0.4405 0.7554 0.754

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by broth microdilution assay ChEMBL. 21130651
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans MTCC-183 after 48 hrs by broth microdilution assay ChEMBL. 21130651
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans isolate CDRI after 48 hrs by broth microdilution assay ChEMBL. 21130651
MIC (functional) > 50 ug ml-1 Antifungal activity against Candida albicans NCIM-3557 after 48 hrs by broth microdilution assay ChEMBL. 21130651
MIC (functional) > 200 ug ml-1 Antitrichomonas activity against Trichomonas vaginalis after 48 hrs by trypan blue exclusion assay ChEMBL. 21130651

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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