Detailed information for compound 1668923

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 202.016 | Formula: C7H15BN2O4
  • H donors: 4 H acceptors: 4 LogP: -2.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1C[C@H](N(C1)C(=O)[C@@H](N)C)B(O)O
  • InChi: 1S/C7H15BN2O4/c1-4(9)7(12)10-3-5(11)2-6(10)8(13)14/h4-6,11,13-14H,2-3,9H2,1H3/t4-,5+,6-/m0/s1
  • InChiKey: LXEJMHRSZPBLRA-JKUQZMGJSA-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
Homo sapiens dipeptidyl-peptidase 9 Starlite/ChEMBL References
Homo sapiens dipeptidyl-peptidase 8 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
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 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
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 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
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase Get druggable targets OG5_129743 All targets in OG5_129743
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
Leishmania donovani serine peptidase, Clan SC, Family S9B 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
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
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 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 infantum dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) Get druggable targets OG5_128614 All targets in OG5_128614
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129743 All targets in OG5_129743
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
Candida albicans dipeptidyl aminopeptidase B 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
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
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
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0211 0.3584 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0273 0.0406
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1332 0.1718
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0345 0.6343 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1332 0.1718
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0273 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0273 0.5
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0273 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0411 0.0226
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.1332 0.1321
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.035 0.6435 1
Leishmania major hypothetical protein, conserved 0.0056 0.0411 0.0226
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0365 0.0365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1332 0.2054
Loa Loa (eye worm) pax transcription factor protein 2 0.0524 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0345 0.6343 0.6343
Entamoeba histolytica hypothetical protein, conserved 0.005 0.0273 0.5
Brugia malayi hypothetical protein 0.0056 0.0411 0.0411
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.035 0.6435 0.6335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1332 0.2054
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.1332 0.1718
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.005 0.0273 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0411 0.0399
Brugia malayi prolyl oligopeptidase family protein 0.035 0.6435 0.6435
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0365 0.0365
Echinococcus granulosus Dipeptidyl peptidase 9 0.0345 0.6343 0.9852
Mycobacterium tuberculosis Probable peptidase 0.005 0.0273 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.005 0.0273 0.0261
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0273 0.0273
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0345 0.6343 0.9858
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.005 0.0273 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0273 0.5
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0273 0.0273
Onchocerca volvulus 0.0524 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0273 0.0406
Loa Loa (eye worm) prolyl oligopeptidase 0.035 0.6435 0.643
Entamoeba histolytica dipeptidyl-peptidase, putative 0.005 0.0273 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0056 0.0411 0.0226
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.005 0.0273 0.5
Brugia malayi MH2 domain containing protein 0.013 0.1916 0.1916
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.005 0.0273 0.0406
Brugia malayi prolyl oligopeptidase family protein 0.005 0.0273 0.0273
Plasmodium vivax ataxin-2 like protein, putative 0.0056 0.0411 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0056 0.0411 0.0226
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0345 0.6343 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.1332 0.1718
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0273 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0411 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0345 0.6343 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0365 0.0352
Plasmodium falciparum ataxin-2 like protein, putative 0.0056 0.0411 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0345 0.6343 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0273 0.0261
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0365 0.0352
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.1332 0.2054
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.1916 0.1906
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.035 0.6435 1
Loa Loa (eye worm) hypothetical protein 0.0184 0.3033 0.3024
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0345 0.6343 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.005 0.0273 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.005 0.0273 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0273 0.0261
Toxoplasma gondii LsmAD domain-containing protein 0.0056 0.0411 0.0415
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.035 0.6435 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.005 0.0273 0.5
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.005 0.0273 0.0406
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0345 0.6343 0.9852
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.005 0.0273 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.1916 0.1906
Loa Loa (eye worm) hypothetical protein 0.0161 0.2563 0.2553
Brugia malayi hypothetical protein 0.0161 0.2563 0.2563
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.1332 0.1332

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 23 nM Inhibition of human DPP4 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins ChEMBL. 22853995
IC50 (binding) = 125 nM Inhibition of human DPP9 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins ChEMBL. 22853995
IC50 (binding) = 480 nM Inhibition of human DPP8 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins ChEMBL. 22853995

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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