Detailed information for compound 1776472

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.324 | Formula: C16H16N4O2
  • H donors: 2 H acceptors: 3 LogP: 1.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@@H]1CCCN1C(=O)CNC(=O)c1c[nH]c2c1cccc2
  • InChi: 1S/C16H16N4O2/c17-8-11-4-3-7-20(11)15(21)10-19-16(22)13-9-18-14-6-2-1-5-12(13)14/h1-2,5-6,9,11,18H,3-4,7,10H2,(H,19,22)/t11-/m0/s1
  • InChiKey: JUEILIJRHXPVKI-NSHDSACASA-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 prolyl endopeptidase Starlite/ChEMBL References
Mus musculus fibroblast activation protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania mexicana prolyl oligopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative 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
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Onchocerca volvulus Prolyl endopeptidase homolog Get druggable targets OG5_129295 All targets in OG5_129295
Neospora caninum Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related Get druggable targets OG5_129295 All targets in OG5_129295
Toxoplasma gondii prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania donovani prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma congolense prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus granulosus prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei gambiense prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma japonicum Prolyl endopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus multilocularis prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania infantum prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Candida albicans dipeptidyl aminopeptidase B 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
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei oligopeptidase b prolyl endopeptidase 710 aa 630 aa 27.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0341 0.9775 0.9775
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0175 0.3376 0.3376
Echinococcus granulosus prolyl endopeptidase 0.0175 0.3376 0.3376
Mycobacterium ulcerans hypothetical protein 0.0205 0.4532 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0341 0.9775 0.9775
Brugia malayi prolyl oligopeptidase family protein 0.0175 0.3376 0.632
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0205 0.4532 0.5
Trypanosoma cruzi prolyl endopeptidase 0.0175 0.3376 0.3376
Loa Loa (eye worm) hypothetical protein 0.0347 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0347 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0226 0.5341 1
Toxoplasma gondii prolyl endopeptidase 0.0175 0.3376 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0226 0.5341 0.5341
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0347 1 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0226 0.5341 0.5341
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.21 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.3376 0.3376
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0148 0.235 0.235
Schistosoma mansoni 6-phosphofructokinase 0.0347 1 1
Giardia lamblia Hypothetical protein 0.0205 0.4532 0.5
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0226 0.5341 0.2968
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0148 0.235 0.235
Giardia lamblia Hypothetical protein 0.0205 0.4532 0.5
Onchocerca volvulus 0.0347 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.3376 0.3376
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0347 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0347 1 1
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0205 0.4532 0.5
Loa Loa (eye worm) hypothetical protein 0.0341 0.9775 0.966
Trypanosoma brucei prolyl endopeptidase 0.0175 0.3376 0.3376
Loa Loa (eye worm) prolyl oligopeptidase 0.0226 0.5341 0.2968
Echinococcus multilocularis prolyl endopeptidase 0.0175 0.3376 0.3376
Loa Loa (eye worm) hypothetical protein 0.0199 0.4306 0.1405
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.0148 0.235 0.235
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0226 0.5341 0.5341
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0347 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0341 0.9775 0.9775
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0341 0.9775 0.9775
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0148 0.235 0.235

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.6 uM Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition ChEMBL. 24900696
IC50 (binding) = 13.2 uM Inhibition of human recombinant PREP expressed in Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition ChEMBL. 24900696
IC50 (binding) > 100 uM Inhibition of DPP2 in human seminal plasma using Lys-Ala-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition ChEMBL. 24900696
IC50 (binding) > 100 uM Inhibition of DPP4 in human seminal plasma using Gly-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addition ChEMBL. 24900696

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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