Detailed information for compound 1506148

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.39 | Formula: C18H22F2N4O
  • H donors: 1 H acceptors: 2 LogP: 2.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ncc(cn1)N1CCC(CC1)[C@@H](Cc1cc(F)ccc1F)N
  • InChi: 1S/C18H22F2N4O/c1-25-18-22-10-15(11-23-18)24-6-4-12(5-7-24)17(21)9-13-8-14(19)2-3-16(13)20/h2-3,8,10-12,17H,4-7,9,21H2,1H3/t17-/m1/s1
  • InChiKey: FLORMQPGMJTURD-QGZVFWFLSA-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
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 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
Brugia malayi prolyl oligopeptidase family protein 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 multilocularis dipeptidyl aminopeptidaseprotein Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus 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
Schistosoma japonicum ko:K01278 dipeptidyl-peptidase 4, putative 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
Echinococcus granulosus growth factor receptor bound protein 2 0.0019 0.0175 0.0161
Giardia lamblia Kinase, CMGC CLK 0.0062 0.107 1
Plasmodium falciparum protein serine/threonine kinase-1 0.0062 0.107 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0115 0.1917
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.1257 0.1244
Echinococcus multilocularis MAM 0.0028 0.0349 0.0335
Onchocerca volvulus 0.0015 0.0074 0.0049
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0024 0.0278 0.0278
Onchocerca volvulus 0.0028 0.0349 0.0325
Brugia malayi hypothetical protein 0.0187 0.3739 0.3739
Echinococcus granulosus tyrosine protein kinase Srms 0.0015 0.0074 0.006
Loa Loa (eye worm) hypothetical protein 0.0017 0.0115 0.0115
Echinococcus granulosus protein tyrosine kinase 0.0251 0.5104 0.5097
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0017 0.0115 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0115 0.0115
Schistosoma mansoni tyrosine kinase 0.0251 0.5104 0.5104
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0681 0.0667
Loa Loa (eye worm) TK/FAK protein kinase 0.0254 0.5166 0.5166
Loa Loa (eye worm) prolyl oligopeptidase 0.0017 0.0115 0.0115
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Schistosoma mansoni tyrosine kinase 0.0053 0.0885 0.0885
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.1257 1
Brugia malayi Protein kinase domain containing protein 0.0254 0.5166 0.5166
Brugia malayi Serine/threonine-protein kinase SULU 0.0187 0.3739 0.3739
Echinococcus multilocularis tyrosine protein kinase shark 0.0015 0.0074 0.006
Schistosoma mansoni growth factor receptor-bound protein 0.0019 0.0175 0.0175
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.1257 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0017 0.0115 0.01
Onchocerca volvulus 0.0015 0.0074 0.0049
Plasmodium vivax serine/threonine kinase-1, putative 0.0062 0.107 1
Brugia malayi Protein kinase domain containing protein 0.0015 0.0074 0.0074
Echinococcus granulosus tyrosine protein kinase Blk 0.0043 0.0681 0.0667
Echinococcus granulosus tyrosine protein kinase Lyn 0.0056 0.0944 0.093
Echinococcus granulosus MAM 0.0028 0.0349 0.0335
Brugia malayi protein-tyrosine kinase 0.0043 0.0681 0.0681
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0017 0.0115 0.0115
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0115 0.1917
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0578 0.0565
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0017 0.0115 0.1917
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0187 0.3739 0.3739
Loa Loa (eye worm) hypothetical protein 0.0019 0.0175 0.0175
Echinococcus multilocularis tyrosine protein kinase HCK 0.0033 0.0472 0.0458
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0062 0.107 0.8364
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Schistosoma mansoni tyrosine kinase 0.0053 0.0885 0.0885
Brugia malayi Protein kinase domain containing protein 0.0015 0.0074 0.0074
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0019 0.0175 0.0175
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.107 0.8364
Echinococcus multilocularis tyrosine kinase 0.0015 0.0074 0.006
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.107 0.8364
Echinococcus granulosus hypothetical protein 0.0059 0.1012 0.0998
Schistosoma mansoni nephrin 0.0012 0.0015 0.0015
Entamoeba histolytica protein kinase, putative 0.0033 0.0472 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0012 0.0027 0.0027
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Loa Loa (eye worm) hypothetical protein 0.0028 0.0349 0.0349
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0053 0.0885 0.0871
Echinococcus granulosus NCK adaptor protein 0.0019 0.0175 0.0161
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0115 0.1917
Loa Loa (eye worm) hypothetical protein 0.0028 0.0353 0.0353
Onchocerca volvulus 0.0028 0.0349 0.0325
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.107 0.8364
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0053 0.0885 0.0871
Brugia malayi hypothetical protein 0.0028 0.0349 0.0349
Brugia malayi prolyl oligopeptidase family protein 0.007 0.1257 0.1257
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Schistosoma mansoni growth factor receptor-bound protein 0.0019 0.0175 0.0175
Schistosoma mansoni nck2/grb4 0.0019 0.0175 0.0175
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.1257 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.1257 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0053 0.0885 0.0871
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0175 0.0175
Brugia malayi Immunoglobulin I-set domain containing protein 0.0012 0.0027 0.0027
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Echinococcus multilocularis tyrosine protein kinase Abl 0.0024 0.0278 0.0264
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.107 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0905 0.0905
Brugia malayi Protein kinase domain containing protein 0.0015 0.0074 0.0074
Schistosoma mansoni adapter molecule crk 0.0019 0.0175 0.0175
Echinococcus multilocularis NCK adaptor protein 0.0019 0.0175 0.0161
Echinococcus multilocularis 0.0059 0.1012 0.0998
Loa Loa (eye worm) TK protein kinase 0.0033 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0203 0.4072 0.4072
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.1257 0.1257
Brugia malayi EGF-like domain containing protein 0.0028 0.0353 0.0353
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.1257 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0015 0.0074 0.006
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0443 0.0443
Schistosoma mansoni tyrosine kinase 0.0015 0.0074 0.0074
Brugia malayi hypothetical protein 0.0015 0.0074 0.0074
Onchocerca volvulus 0.0015 0.0074 0.0049
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0015 0.0074 0.006
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0019 0.0175 0.0175
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0187 0.3739 0.3729
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Leishmania major protein kinase, putative 0.0062 0.107 0.8364
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0115 0.0115
Brugia malayi hypothetical protein 0.0054 0.0905 0.0905
Brugia malayi Protein kinase domain containing protein 0.0015 0.0074 0.0074
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0209 0.4208 0.4199
Schistosoma mansoni hypothetical protein 0.0028 0.0349 0.0349
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Echinococcus granulosus twitchin 0.0015 0.0073 0.0059
Echinococcus multilocularis protein tyrosine kinase 0.0251 0.5104 0.5097
Onchocerca volvulus Prolyl endopeptidase homolog 0.0017 0.0115 0.009
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0209 0.4208 0.4208
Echinococcus granulosus slit 2 protein 0.0028 0.0353 0.0338
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0015 0.0074 0.0995
Echinococcus granulosus tyrosine protein kinase Src42A 0.0053 0.0885 0.0871
Mycobacterium tuberculosis Probable peptidase 0.0017 0.0115 0.5
Echinococcus granulosus prolyl endopeptidase 0.0017 0.0115 0.01
Loa Loa (eye worm) TK/ALK protein kinase 0.0235 0.4761 0.4761
Brugia malayi Protein kinase domain containing protein 0.0015 0.0074 0.0074
Echinococcus multilocularis c src tyrosine kinase 0.0024 0.0278 0.0264
Echinococcus multilocularis acylamino acid releasing enzyme 0.0017 0.0115 0.01
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0053 0.0885 0.0871
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.107 0.107
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0154 0.3039 0.3029
Loa Loa (eye worm) hypothetical protein 0.0059 0.1012 0.1012
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0015
Brugia malayi Protein kinase domain containing protein 0.0235 0.4762 0.4762
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0053 0.0885 0.0871
Loa Loa (eye worm) hypothetical protein 0.0028 0.0349 0.0349
Entamoeba histolytica prolyl oligopeptidase family protein 0.0017 0.0115 0.1917
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.1257 1
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Onchocerca volvulus Slit protein homolog 0.0028 0.0353 0.0328
Echinococcus multilocularis tyrosine protein kinase Srms 0.0043 0.0681 0.0667
Brugia malayi Protein kinase domain containing protein 0.0062 0.107 0.107
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0053 0.0885 0.0871
Onchocerca volvulus 0.0015 0.0074 0.0049
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0069 0.0069
Leishmania major protein kinase, putative 0.0062 0.107 0.8364
Loa Loa (eye worm) SRC-1 0.0053 0.0885 0.0885
Schistosoma mansoni tyrosine kinase 0.0024 0.0278 0.0278
Echinococcus multilocularis prolyl endopeptidase 0.0017 0.0115 0.01
Loa Loa (eye worm) hypothetical protein 0.0012 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Onchocerca volvulus 0.0028 0.0349 0.0325
Schistosoma mansoni serine/threonine protein kinase 0.0187 0.3739 0.3739
Brugia malayi SH2 domain containing protein 0.0015 0.0074 0.0074
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.107 0.107
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0017 0.0115 0.5
Echinococcus multilocularis slit 2 protein 0.0028 0.0353 0.0338
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0115 0.0115
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0017 0.0115 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.0209 0.4208 0.4208
Echinococcus multilocularis tyrosine protein kinase Blk 0.0043 0.0681 0.0667
Schistosoma mansoni tyrosine kinase 0.0024 0.0278 0.0278
Brugia malayi Sex muscle abnormal protein 5 0.0019 0.0175 0.0175
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0053 0.0885 0.0871
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0053 0.0885 0.0871
Loa Loa (eye worm) TK/ABL protein kinase 0.0015 0.0074 0.0074
Schistosoma mansoni hypothetical protein 0.0028 0.0349 0.0349
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0015 0.0074 0.006
Onchocerca volvulus 0.0015 0.0074 0.0049
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0209 0.4208 0.4193
Echinococcus granulosus tyrosine protein kinase HCK 0.0033 0.0472 0.0458
Loa Loa (eye worm) TK/FER protein kinase 0.0015 0.0074 0.0074
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0154 0.3039 0.3029
Loa Loa (eye worm) TK protein kinase 0.0043 0.0681 0.0681
Brugia malayi SH2 domain containing protein 0.0015 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0015 0.0074 0.0074
Echinococcus granulosus tyrosine protein kinase shark 0.0015 0.0074 0.006
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0115 0.0115
Echinococcus granulosus tyrosine protein kinase ABL1 0.0015 0.0074 0.006
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0062 0.107 0.8364
Echinococcus granulosus tyrosine kinase 0.0015 0.0074 0.006
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0019 0.0175 0.0175
Echinococcus granulosus tyrosine kinase 0.0043 0.0681 0.0667
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0043 0.0681 0.0667
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0443 0.0443
Brugia malayi SRC-1 0.0053 0.0885 0.0885
Onchocerca volvulus 0.0015 0.0074 0.0049
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.107 0.1057
Loa Loa (eye worm) hypothetical protein 0.0028 0.0349 0.0349
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0053 0.0885 0.0871
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.107 0.8364
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.107 0.107
Brugia malayi prolyl oligopeptidase family protein 0.0017 0.0115 0.0115
Brugia malayi prolyl oligopeptidase family protein 0.0209 0.4208 0.4208
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0017 0.0115 0.0115
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0187 0.3739 0.3729
Schistosoma mansoni tyrosine kinase 0.0145 0.2835 0.2835
Loa Loa (eye worm) hypothetical protein 0.0017 0.0115 0.0115
Echinococcus granulosus tyrosine protein kinase Src64B 0.0053 0.0885 0.0871
Echinococcus multilocularis growth factor receptor bound protein 2 0.0019 0.0175 0.0161
Loa Loa (eye worm) hypothetical protein 0.0017 0.0115 0.0115
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0578 0.0565
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0209 0.4208 0.4199
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.1257 0.1244
Echinococcus granulosus c src tyrosine kinase 0.0024 0.0278 0.0264
Brugia malayi Variant SH3 domain containing protein 0.0019 0.0175 0.0175
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.107 0.1057
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.107 0.8364
Brugia malayi Tyrosine-protein kinase abl-1 0.0024 0.0278 0.0278
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.0115 0.1917

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.078 uM Inhibition of DPP4 ChEMBL. 21320777
IC50 (binding) = 23 uM Inhibition of DPP9 ChEMBL. 21320777
IC50 (binding) > 35 uM Inhibition of FAP ChEMBL. 21320777
IC50 (binding) = 42 uM Inhibition of QPP ChEMBL. 21320777
IC50 (binding) = 47 uM Inhibition of DPP8 ChEMBL. 21320777

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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