Detailed information for compound 2148968

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.127 | Formula: C17H16N4O2
  • H donors: 1 H acceptors: 4 LogP: 1.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: N#CC1CCCN1C(=O)CNC(=O)c1ccnc2c1cccc2
  • InChi: InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)
  • InChiKey: MTHMMXFBHKGAAI-UHFFFAOYSA-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 7 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative Get druggable targets OG5_139351 All targets in OG5_139351
Schistosoma mansoni family S28 unassigned peptidase (S28 family) Get druggable targets OG5_139351 All targets in OG5_139351
Echinococcus granulosus Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase Get druggable targets OG5_139351 All targets in OG5_139351
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi serine carboxypeptidase S28, putative dipeptidyl-peptidase 7 492 aa 471 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2400 nM Enzymatic Assay BINDINGDB. No reference
IC50 (binding) = 22400 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) > 100000 nM Enzymatic Assay BINDINGDB. No reference

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

No literature references available for this target.

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