Detailed information for compound 1687183

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 529.461 | Formula: C26H30Cl2N6O2
  • H donors: 1 H acceptors: 3 LogP: 3.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)n(c1c2ccc(c1)C(=O)N(C)C)C.Cl
  • InChi: 1S/C26H29ClN6O2.ClH/c1-30(2)24(34)16-10-11-19-21(13-16)31(3)25(35)23-22(19)29-26(32-12-6-8-18(28)15-32)33(23)14-17-7-4-5-9-20(17)27;/h4-5,7,9-11,13,18H,6,8,12,14-15,28H2,1-3H3;1H/t18-;/m1./s1
  • InChiKey: YNEYWWQAARTUDP-GMUIIQOCSA-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 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans dipeptidyl aminopeptidase B 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
Echinococcus multilocularis 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
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
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 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
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.2699 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1648 0.1648
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.2699 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 1 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.2699 0.2699
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0811 0.0811
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Brugia malayi prolyl oligopeptidase family protein 0.007 0.2699 0.2699
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.2699 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Brugia malayi hypothetical protein 0.0054 0.1828 0.1828
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.2699 0.2699
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0811 0.0811
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1648 0.1648
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.2699 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.2699 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.2699 0.2699
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.2699 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0054 0.1828 0.1828
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1648 0.1648
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1648 0.1648
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 nM Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis ChEMBL. 22938786

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.