Detailed information for compound 1883347

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.372 | Formula: C19H18N4O2
  • H donors: 1 H acceptors: 4 LogP: 1.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc(c1)c1ccccc1
  • InChi: 1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
  • InChiKey: XLDGEWVOCOXLNE-INIZCTEOSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus fibroblast activation protein Starlite/ChEMBL References
Homo sapiens prolyl endopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania donovani prolyl endopeptidase 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
Leishmania infantum prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma congolense prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum Prolyl endopeptidase, 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
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma mansoni prolyl oligopeptidase (S09 family) 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 ko:K01278 dipeptidyl-peptidase 4, putative 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
Trypanosoma brucei gambiense prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 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
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129295 All targets in OG5_129295
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 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
Echinococcus multilocularis prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Toxoplasma gondii prolyl endopeptidase 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
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0079 0 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0079 0 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0226 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0226 1 1
Trypanosoma cruzi prolyl endopeptidase 0.0175 0.6507 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0087 0.051 0.0784
Brugia malayi prolyl oligopeptidase family protein 0.0175 0.6507 0.632
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0175 0.6507 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.6507 0.632
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0226 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0087 0.051 0.0784
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0087 0.051 0.0784
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0087 0.051 0.0784
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.6507 0.632
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.4241 1
Toxoplasma gondii prolyl endopeptidase 0.0175 0.6507 1
Trypanosoma brucei prolyl endopeptidase 0.0175 0.6507 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0226 1 1
Echinococcus granulosus prolyl endopeptidase 0.0175 0.6507 0.632
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0087 0.051 0.0784
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0226 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0175 0.6507 0.632

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 290 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) = 14200 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) > 25000 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) > 100000 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) > 100000 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) = 0.29 uM Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry ChEMBL. 24617858
IC50 (binding) = 14.2 uM Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry ChEMBL. 24617858
IC50 (binding) > 100 uM Inhibition of DPP4 purified from human seminal plasma using Gly-Pro-p-nitroanilide as substrate by spectrophotometry ChEMBL. 24617858
IC50 (binding) > 100 uM Inhibition of DPP2 purified from human seminal plasma using Lys-Ala-p-nitroanilide as substrate by spectrophotometry ChEMBL. 24617858

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.