Detailed information for compound 1111375

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.387 | Formula: C16H24N4O3
  • H donors: 1 H acceptors: 3 LogP: 0.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@@H]1CCCN1C(=O)CN[C@@H]1C[C@H]2[C@@H](C1)CN(C2)C(=O)OC
  • InChi: 1S/C16H24N4O3/c1-23-16(22)19-9-11-5-13(6-12(11)10-19)18-8-15(21)20-4-2-3-14(20)7-17/h11-14,18H,2-6,8-10H2,1H3/t11-,12+,13-,14-/m0/s1
  • InChiKey: GJZCHOOEZHNNNK-CRWXNKLISA-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 dipeptidyl-peptidase 9 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 4 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 8 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania donovani serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania braziliensis dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania mexicana dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus multilocularis Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei gambiense dipeptidyl-peptidase 8-like serine protease Get druggable targets OG5_129743 All targets in OG5_129743
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K08656 dipeptidyl-peptidase 9, putative Get druggable targets OG5_129743 All targets in OG5_129743
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania infantum dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) Get druggable targets OG5_129743 All targets in OG5_129743
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 cruzi oligopeptidase B-like protein, putative 0.005 0.0928 0.094
Trypanosoma brucei prolyl endopeptidase 0.005 0.0928 0.094
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0345 0.9865 1
Toxoplasma gondii hypothetical protein 0.005 0.0928 0.1599
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.035 1 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0928 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0825 0.0825
Brugia malayi hypothetical protein 0.0036 0.0526 0.0526
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0951 0.0951
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.005 0.0928 0.094
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.035 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.005 0.0928 1
Brugia malayi prolyl oligopeptidase family protein 0.0345 0.9865 0.9865
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.005 0.0928 1
Entamoeba histolytica hypothetical protein 0.0036 0.0526 0.567
Trypanosoma cruzi oligopeptidase b 0.005 0.0928 0.094
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0825 0.0825
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0928 0.0928
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0345 0.9865 0.9865
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0928 1
Trypanosoma cruzi oligopeptidase b 0.005 0.0928 0.094
Trypanosoma brucei oligopeptidase b 0.005 0.0928 0.094
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0468 0.0468
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0928 0.0928
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0928 0.094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0825 0.0825
Entamoeba histolytica hypothetical protein 0.0036 0.0526 0.567
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.005 0.0928 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0928 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0825 0.0825
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0928 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.005 0.0928 0.094
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.005 0.0928 0.094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0825 0.0825
Trypanosoma cruzi prolyl endopeptidase 0.005 0.0928 0.094
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0211 0.5802 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0825 0.0825
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.005 0.0928 0.094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0825 0.0825
Plasmodium falciparum peptidase, putative 0.005 0.0928 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0825 0.0825
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.035 1 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.4991 0.4991
Plasmodium vivax hypothetical protein, conserved 0.005 0.0928 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0928 0.0928
Toxoplasma gondii prolyl endopeptidase 0.005 0.0928 0.1599
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.005 0.0928 1
Echinococcus multilocularis prolyl endopeptidase 0.005 0.0928 0.0928
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0928 1
Leishmania major oligopeptidase b 0.005 0.0928 0.094
Echinococcus granulosus prolyl endopeptidase 0.005 0.0928 0.0928
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0345 0.9865 0.9865
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0951 0.0951
Schistosoma mansoni hypothetical protein 0.0036 0.0526 0.0526
Loa Loa (eye worm) hypothetical protein 0.0035 0.0468 0.0468
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0928 0.0928
Echinococcus multilocularis acylamino acid releasing enzyme 0.005 0.0928 0.0928
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0526 0.0526
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0345 0.9865 1
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0928 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.005 0.0928 0.5
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.005 0.0928 0.094
Loa Loa (eye worm) prolyl oligopeptidase 0.035 1 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0928 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0928 1
Entamoeba histolytica hypothetical protein, conserved 0.005 0.0928 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0345 0.9865 0.9865
Loa Loa (eye worm) hypothetical protein 0.0051 0.0951 0.0951
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0345 0.9865 1
Mycobacterium tuberculosis Probable peptidase 0.005 0.0928 1
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0928 0.0928
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0928 0.0928
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0526 0.0526
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.005 0.0928 0.0928
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.005 0.0928 0.1599
Entamoeba histolytica hypothetical protein 0.0036 0.0526 0.567
Trypanosoma brucei prolyl oligopeptidase, putative 0.005 0.0928 0.094
Echinococcus granulosus acylamino acid releasing enzyme 0.005 0.0928 0.0928
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0951 0.0951
Brugia malayi hypothetical protein 0.0161 0.4299 0.4299
Loa Loa (eye worm) prolyl oligopeptidase 0.005 0.0928 0.0928
Entamoeba histolytica hypothetical protein 0.0036 0.0526 0.567
Loa Loa (eye worm) hypothetical protein 0.005 0.0928 0.0928
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0928 0.0928
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0345 0.9865 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.4299 0.4299
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0345 0.9865 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0825 0.0825
Schistosoma mansoni hypothetical protein 0.0035 0.0468 0.0468
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0928 0.094
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0526 0.0526
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.035 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.024 uM Inhibition of DPP4 ChEMBL. 20488702
IC50 (binding) = 5.04 uM Inhibition of DPP9 ChEMBL. 20488702
IC50 (binding) = 18.24 uM Inhibition of DPP8 ChEMBL. 20488702

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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