Detailed information for compound 1167046

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.291 | Formula: C19H17Cl2N7O
  • H donors: 2 H acceptors: 4 LogP: 3.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1c(C)nc2n(c1c1ccc(cc1Cl)Cl)cc(n2)C(=O)Nc1ccnn1C
  • InChi: 1S/C19H17Cl2N7O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)28-9-15(25-19(28)24-10)18(29)26-16-5-6-23-27(16)2/h3-7,9H,8,22H2,1-2H3,(H,26,29)
  • InChiKey: ZSANYRQZXIRJRH-UHFFFAOYSA-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 dipeptidyl-peptidase 9 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 8 Starlite/ChEMBL References
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
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania mexicana dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative Get druggable targets OG5_129743 All targets in OG5_129743
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
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus granulosus Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) Get druggable targets OG5_129743 All targets in OG5_129743
Leishmania infantum dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei gambiense dipeptidyl-peptidase 8-like serine protease Get druggable targets OG5_129743 All targets in OG5_129743
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Trypanosoma brucei serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Echinococcus granulosus dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania braziliensis dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma japonicum ko:K08656 dipeptidyl-peptidase 9, putative Get druggable targets OG5_129743 All targets in OG5_129743
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog Get druggable targets OG5_128614 All targets in OG5_128614
Leishmania donovani serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743

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) hypothetical protein 0.0184 0.4553 0.4553
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0189 0.0189
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.035 0.9901 0.9901
Brugia malayi hypothetical protein 0.0161 0.3814 0.3814
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.005 0.0215 0.0221
Brugia malayi prolyl oligopeptidase family protein 0.0345 0.9757 0.9757
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.005 0.0215 0.0221
Echinococcus multilocularis DNA topoisomerase 1 0.0353 1 1
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0264 0.7138 0.7315
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.005 0.0215 0.0221
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.005 0.0215 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.005 0.0215 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0215 0.0221
Trypanosoma cruzi oligopeptidase b 0.005 0.0215 0.0221
Loa Loa (eye worm) hypothetical protein 0.0161 0.3814 0.3814
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0215 0.0215
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0215 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0353 1 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.035 0.9901 0.9901
Plasmodium vivax topoisomerase I, putative 0.0353 1 1
Leishmania major DNA topoisomerase IB, large subunit 0.0264 0.7138 0.7315
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0215 0.0215
Leishmania major DNA topoisomerase type IB small subunit 0.0089 0.1472 0.1508
Echinococcus multilocularis prolyl endopeptidase 0.005 0.0215 0.0215
Trypanosoma brucei oligopeptidase b 0.005 0.0215 0.0221
Trypanosoma brucei prolyl oligopeptidase, putative 0.005 0.0215 0.0221
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.005 0.0215 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0345 0.9757 0.9757
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0215 1
Echinococcus granulosus DNA topoisomerase 1 0.0353 1 1
Schistosoma mansoni DNA topoisomerase type I 0.0264 0.7138 0.7138
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0215 0.0221
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0345 0.9757 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0189 0.0189
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0215 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.005 0.0215 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0215 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0215 0.0215
Loa Loa (eye worm) DNA topoisomerase I 0.0353 1 1
Trypanosoma cruzi oligopeptidase b 0.005 0.0215 0.0221
Plasmodium falciparum topoisomerase I 0.0353 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0215 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0189 0.0189
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.005 0.0215 0.0215
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.005 0.0215 0.0221
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0345 0.9757 0.9757
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.005 0.0215 0.0215
Leishmania major oligopeptidase b 0.005 0.0215 0.0221
Echinococcus granulosus prolyl endopeptidase 0.005 0.0215 0.0215
Toxoplasma gondii hypothetical protein 0.005 0.0215 0.0215
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.035 0.9901 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0211 0.542 0.542
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0215 1
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0089 0.1472 0.1508
Trypanosoma brucei prolyl endopeptidase 0.005 0.0215 0.0221
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0215 0.0215
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0215 0.0215
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.005 0.0215 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0345 0.9757 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.035 0.9901 0.9901
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0264 0.7138 0.7315
Toxoplasma gondii DNA topoisomerase I, putative 0.0353 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.7267 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0215 0.0215
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.005 0.0215 0.0221
Entamoeba histolytica hypothetical protein, conserved 0.005 0.0215 1
Brugia malayi prolyl oligopeptidase family protein 0.035 0.9901 0.9901
Loa Loa (eye worm) prolyl oligopeptidase 0.005 0.0215 0.0215
Echinococcus granulosus Dipeptidyl peptidase 9 0.0345 0.9757 0.9757
Echinococcus multilocularis acylamino acid releasing enzyme 0.005 0.0215 0.0215
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0089 0.1472 0.1508
Loa Loa (eye worm) hypothetical protein 0.0049 0.0189 0.0189
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0345 0.9757 1
Echinococcus granulosus acylamino acid releasing enzyme 0.005 0.0215 0.0215
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0345 0.9757 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.005 0.0215 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0264 0.7138 0.7138
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0345 0.9757 1
Toxoplasma gondii prolyl endopeptidase 0.005 0.0215 0.0215
Trypanosoma cruzi prolyl endopeptidase 0.005 0.0215 0.0221
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0215 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0215 1
Loa Loa (eye worm) prolyl oligopeptidase 0.035 0.9901 0.9901

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2 nM Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage ChEMBL. 20684603
Ki (binding) = 3.5 nM Inhibition of human DPP9 ChEMBL. 20684603
Ki (binding) = 4.5 nM Inhibition of human DPP8 ChEMBL. 20684603

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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