Detailed information for compound 1506640

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.448 | Formula: C19H25N7O2
  • H donors: 1 H acceptors: 4 LogP: 0.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(c1)N1CCc2c(C1)con2
  • InChi: 1S/C19H25N7O2/c20-14-9-25(10-16(14)26-5-2-1-3-19(26)27)18-7-17(21-12-22-18)24-6-4-15-13(8-24)11-28-23-15/h7,11-12,14,16H,1-6,8-10,20H2/t14-,16-/m0/s1
  • InChiKey: FMEOYYNNCIVCTM-HOCLYGCPSA-N  

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 4 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
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) prolyl oligopeptidase 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
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
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

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
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.2579 1
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0408 0.5369 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0626 0.5
Brugia malayi prolyl oligopeptidase family protein 0.007 0.0626 0.2427
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0191 0.074
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0626 0.2427
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.2579 1
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0329 0.4268 0.7485
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.0626 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.2579 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0144 0.0559
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0191 0.074
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0626 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0626 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0626 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.2579 1
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0408 0.5369 0.4857
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0408 0.5369 0.4857
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0144 0.0559
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0626 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.2579 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0097 0.0994 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.2579 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0077 0.03
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0144 0.0559
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0144 0.0559
Chlamydia trachomatis transglycolase/transpeptidase 0.0097 0.0994 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0626 0.2427
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.0626 0.2427
Loa Loa (eye worm) hypothetical protein 0.0054 0.0393 0.1523
Chlamydia trachomatis transglycolase/transpeptidase 0.0097 0.0994 0.5
Brugia malayi hypothetical protein 0.0054 0.0393 0.1523

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Inhibition of human DPP4 ChEMBL. 21324688

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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