Detailed information for compound 810239

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.384 | Formula: C17H24N2O3
  • H donors: 1 H acceptors: 1 LogP: 1.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNCCC1CCC(=O)N1CC1COc2c(O1)cccc2
  • InChi: 1S/C17H24N2O3/c1-2-18-10-9-13-7-8-17(20)19(13)11-14-12-21-15-5-3-4-6-16(15)22-14/h3-6,13-14,18H,2,7-12H2,1H3
  • InChiKey: IWGWQWURQLGVHZ-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
Plasmodium falciparum peptidase, putative 0.0068 0.0633 0.5
Echinococcus multilocularis prolyl endopeptidase 0.0298 0.5229 0.5188
Echinococcus multilocularis acylamino acid releasing enzyme 0.0068 0.0633 0.0554
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0143 0.2136 1
Brugia malayi prolyl oligopeptidase family protein 0.0068 0.0633 0.0554
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0068 0.0633 0.0554
Echinococcus granulosus prolyl endopeptidase 0.0298 0.5229 0.5188
Loa Loa (eye worm) hypothetical protein 0.0066 0.0598 0.0519
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0538 1 1
Trypanosoma brucei oligopeptidase b 0.0143 0.2136 0.3989
Entamoeba histolytica prolyl oligopeptidase family protein 0.0068 0.0633 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0199 0.3247 0.319
Echinococcus multilocularis geminin 0.0164 0.2562 0.2499
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0598 0.0519
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0199 0.3247 0.6148
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0143 0.2136 0.3989
Trypanosoma brucei prolyl oligopeptidase, putative 0.0143 0.2136 0.3989
Echinococcus granulosus acylamino acid releasing enzyme 0.0068 0.0633 0.0554
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0598 0.0519
Loa Loa (eye worm) hypothetical protein 0.0068 0.0633 0.0554
Toxoplasma gondii hypothetical protein 0.0068 0.0633 0.1067
Giardia lamblia Alanyl dipeptidyl peptidase 0.0068 0.0633 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0199 0.3247 0.6148
Trypanosoma brucei prolyl endopeptidase 0.0298 0.5229 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0199 0.3247 0.319
Giardia lamblia Alanyl dipeptidyl peptidase 0.0068 0.0633 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0068 0.0633 1
Mycobacterium tuberculosis Probable peptidase 0.0143 0.2136 0.55
Echinococcus granulosus acetylcholinesterase 0.0066 0.0598 0.0519
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0598 0.0519
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0068 0.0633 0.1067
Brugia malayi Carboxylesterase family protein 0.0066 0.0598 0.0519
Schistosoma mansoni hypothetical protein 0.0164 0.2562 0.2499
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0298 0.5229 0.5188
Brugia malayi Carboxylesterase family protein 0.0066 0.0598 0.0519
Plasmodium vivax hypothetical protein, conserved 0.0068 0.0633 0.5
Leishmania major oligopeptidase b 0.0143 0.2136 0.3989
Loa Loa (eye worm) carboxylesterase 0.0066 0.0598 0.0519
Entamoeba histolytica prolyl oligopeptidase family protein 0.0068 0.0633 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0143 0.2136 0.3989
Toxoplasma gondii prolyl endopeptidase 0.0298 0.5229 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0199 0.3247 0.6148
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0068 0.0633 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0298 0.5229 0.5188
Trypanosoma cruzi prolyl endopeptidase 0.0298 0.5229 1
Echinococcus granulosus geminin 0.0164 0.2562 0.2499
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0231 0.3884 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0538 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0068 0.0633 0.0554
Loa Loa (eye worm) hypothetical protein 0.0298 0.5229 0.5188
Loa Loa (eye worm) prolyl oligopeptidase 0.0068 0.0633 0.0554
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0538 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0633 0.1067
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0143 0.2136 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0083 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.0068 0.0633 1
Entamoeba histolytica hypothetical protein, conserved 0.0068 0.0633 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0598 0.0519
Brugia malayi hypothetical protein 0.0131 0.1902 0.1834
Loa Loa (eye worm) prolyl oligopeptidase 0.0538 1 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0199 0.3247 0.6148
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0143 0.2136 0.3989
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0538 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1902 0.1834
Trypanosoma cruzi oligopeptidase b 0.0143 0.2136 0.3989
Trypanosoma cruzi hypothetical protein, conserved 0.0068 0.0633 0.1067
Trypanosoma cruzi oligopeptidase b 0.0143 0.2136 0.3989
Schistosoma mansoni hypothetical protein 0.0164 0.2562 0.2499
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0298 0.5229 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0199 0.3247 0.319
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0598 0.0519
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0143 0.2136 0.3989
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0598 0.0519
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0199 0.3247 0.6148
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0068 0.0633 1
Echinococcus granulosus acetylcholinesterase 0.0066 0.0598 0.0519
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0143 0.2136 0.55
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0598 0.0519
Loa Loa (eye worm) hypothetical protein 0.0068 0.0633 0.0554
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0068 0.0633 0.1067
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0068 0.0633 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0199 0.3247 0.6148
Brugia malayi prolyl oligopeptidase family protein 0.0298 0.5229 0.5188
Trichomonas vaginalis conserved hypothetical protein 0.0068 0.0633 1
Brugia malayi prolyl oligopeptidase family protein 0.0199 0.3247 0.319
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0068 0.0633 0.0554

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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