Detailed information for compound 1883331

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.361 | Formula: C18H18N4O2
  • H donors: 0 H acceptors: 4 LogP: 1.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@@H]1CCCN1C(=O)CN(C(=O)c1ccnc2c1cccc2)C
  • InChi: 1S/C18H18N4O2/c1-21(12-17(23)22-10-4-5-13(22)11-19)18(24)15-8-9-20-16-7-3-2-6-14(15)16/h2-3,6-9,13H,4-5,10,12H2,1H3/t13-/m0/s1
  • InChiKey: NLIXCGBSWRSMCZ-ZDUSSCGKSA-N  


Substructure search Similarity search

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
Loa Loa (eye worm) TK protein kinase 0.0054 0.0008 0.002
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0175 0.3003 1
Brugia malayi protein-tyrosine kinase 0.0054 0.0008 0.002
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0087 0.0824 0.0816
Toxoplasma gondii prolyl endopeptidase 0.0175 0.3003 1
Brugia malayi SH2 domain containing protein 0.0054 0.0008 0.002
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0079 0.0638 0.5
Loa Loa (eye worm) SRC-1 0.0054 0.0008 0.002
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.218 1
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Brugia malayi SRC-1 0.0054 0.0008 0.002
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Trypanosoma cruzi prolyl endopeptidase 0.0175 0.3003 1
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0054 0.0008 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0087 0.0824 0.1928
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.3003 0.2997
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0226 0.4273 0.4268
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0087 0.0824 0.0784
Brugia malayi prolyl oligopeptidase family protein 0.0175 0.3003 0.7029
Loa Loa (eye worm) hypothetical protein 0.0054 0.0008 0.002
Brugia malayi Protein kinase domain containing protein 0.0054 0.0008 0.002
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0087 0.0824 0.0816
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Brugia malayi Protein kinase domain containing protein 0.0054 0.0008 0.002
Trypanosoma brucei prolyl endopeptidase 0.0175 0.3003 1
Echinococcus multilocularis prolyl endopeptidase 0.0175 0.3003 0.2997
Echinococcus granulosus prolyl endopeptidase 0.0175 0.3003 0.2997
Loa Loa (eye worm) hypothetical protein 0.0175 0.3003 0.7029
Brugia malayi Protein kinase domain containing protein 0.0054 0.0008 0.002
Brugia malayi prolyl oligopeptidase family protein 0.0226 0.4273 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0226 0.4273 0.4268
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0456 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0226 0.4273 1
Brugia malayi Protein kinase domain containing protein 0.0054 0.0008 0.002
Brugia malayi hypothetical protein 0.0054 0.0008 0.002
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0087 0.0824 0.0784
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0087 0.0824 0.0784
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0087 0.0824 0.0784
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Echinococcus granulosus Dipeptidyl peptidase 9 0.0087 0.0824 0.0816
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Loa Loa (eye worm) prolyl oligopeptidase 0.0226 0.4273 1
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0456 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0079 0.0638 0.5
Loa Loa (eye worm) TK/ABL protein kinase 0.0054 0.0008 0.002
Onchocerca volvulus Prolyl endopeptidase homolog 0.0175 0.3003 0.7023
Brugia malayi SH2 domain containing protein 0.0054 0.0008 0.002
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0087 0.0824 0.0784
Brugia malayi Tyrosine-protein kinase abl-1 0.0054 0.0008 0.002
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0175 0.3003 0.2997
Brugia malayi Protein kinase domain containing protein 0.0054 0.0008 0.002
Loa Loa (eye worm) TK/FER protein kinase 0.0054 0.0008 0.002
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0226 0.4273 0.4268

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 25 uM Inhibition of recombinant human PREP purified from Escherichia coli using Z-Gly-Pro-p-nitroanilide as substrate by spectrophotometry ChEMBL. 24617858
IC50 (binding) = 37 uM Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-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.

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