Detailed information for compound 1506683

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.462 | Formula: C20H30F2N2O
  • H donors: 1 H acceptors: 1 LogP: 3.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@@H]([C@@H]1CC[C@H](CC1)N(C(=O)C(C)(C)C)C)Cc1cc(F)ccc1F
  • InChi: 1S/C20H30F2N2O/c1-20(2,3)19(25)24(4)16-8-5-13(6-9-16)18(23)12-14-11-15(21)7-10-17(14)22/h7,10-11,13,16,18H,5-6,8-9,12,23H2,1-4H3/t13-,16-,18-/m1/s1
  • InChiKey: XUVZILXTMHUZNS-MZMPZRCHSA-N  

Network

Hover on a compound node to display the structore

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 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 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 dipeptidyl-peptidase 8-like serine peptidase Get druggable targets OG5_129743 All targets in OG5_129743
Trypanosoma brucei 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
Candida albicans dipeptidyl aminopeptidase B Get druggable targets OG5_128614 All targets in OG5_128614
Echinococcus granulosus Dipeptidyl peptidase 9 Get druggable targets OG5_129743 All targets in OG5_129743
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
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 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
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
Loa Loa (eye worm) prolyl oligopeptidase Get druggable targets OG5_128614 All targets in OG5_128614
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum ko:K08656 dipeptidyl-peptidase 9, putative 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
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 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
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 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
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B Get druggable targets OG5_129743 All targets in OG5_129743
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
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
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0208 0.7092 1
Echinococcus multilocularis roundabout 2 0.0089 0.2266 0.2266
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.101 0.101
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0058 0.101 0.101
Loa Loa (eye worm) lethal protein 805 0.0058 0.101 0.101
Brugia malayi Protein-tyrosine phosphatase 0.0058 0.101 0.101
Brugia malayi hypothetical protein 0.0106 0.2956 0.2956
Onchocerca volvulus 0.0058 0.101 0.101
Echinococcus multilocularis anosmin 1 0.0058 0.101 0.101
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0073 0.1631 0.1631
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0058 0.101 0.101
Schistosoma mansoni protein tyrosine phosphatase 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0089 0.2266 0.2266
Echinococcus multilocularis neuroglian 0.0063 0.1222 0.1222
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0058 0.101 0.101
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0208 0.7092 1
Onchocerca volvulus 0.0058 0.101 0.101
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0089 0.2266 0.2266
Echinococcus granulosus contactin 0.0089 0.2266 0.2266
Brugia malayi Fibronectin type III domain containing protein 0.0106 0.2956 0.2956
Loa Loa (eye worm) hypothetical protein 0.0106 0.2956 0.2956
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0058 0.101 0.1424
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0058 0.101 0.101
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.101 0.101
Echinococcus multilocularis Immunoglobulin 0.0048 0.06 0.06
Echinococcus granulosus roundabout 2 0.0089 0.2266 0.2266
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Echinococcus multilocularis titin 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0058 0.101 0.101
Onchocerca volvulus 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Schistosoma mansoni hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0108 0.3018 0.3018
Schistosoma mansoni titin 0.0073 0.1631 0.1631
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.101 0.101
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0208 0.7092 1
Brugia malayi protein unc-22 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0073 0.1631 0.1631
Echinococcus multilocularis anosmin 1 0.0058 0.101 0.101
Trypanosoma cruzi Fibronectin type III domain containing protein, putative 0.0058 0.101 0.1424
Echinococcus granulosus roundabout 2 0.0137 0.4212 0.4212
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0089 0.2266 0.2266
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0048 0.06 0.06
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0048 0.06 0.06
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Echinococcus multilocularis Phosphotidylinositol phosphatase PTPRQ 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Echinococcus granulosus fibronectin type III domain-containing protein 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.2266 0.2266
Schistosoma mansoni ephrin receptor 0.0075 0.1702 0.1702
Brugia malayi RNA, U transporter 1 0.0059 0.1063 0.1063
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Echinococcus multilocularis anosmin 1 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0081 0.1927 0.1927
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0208 0.7092 0.7092
Echinococcus granulosus Fibronectin type III 0.0058 0.101 0.101
Schistosoma mansoni cell adhesion molecule 0.0073 0.1631 0.1631
Echinococcus granulosus Netrin receptor DCC 0.0058 0.101 0.101
Brugia malayi hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Onchocerca volvulus 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0058 0.101 0.101
Onchocerca volvulus 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0106 0.2956 0.2956
Brugia malayi SPRY domain containing protein 0.0058 0.101 0.101
Brugia malayi myotactin form B 0.0058 0.101 0.101
Echinococcus granulosus anosmin 1 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0106 0.2956 0.2956
Schistosoma mansoni cell adhesion molecule 0.0073 0.1631 0.1631
Onchocerca volvulus 0.0073 0.1631 0.1631
Echinococcus multilocularis roundabout 2 0.0089 0.2266 0.2266
Schistosoma mansoni hypothetical protein 0.0073 0.1631 0.1631
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0058 0.101 0.101
Schistosoma mansoni hypothetical protein 0.0223 0.7697 0.7697
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Schistosoma mansoni factor for adipocyte differentiation 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0079 0.1856 0.1856
Schistosoma mansoni hypothetical protein 0.0058 0.101 0.101
Loa Loa (eye worm) CAMK protein kinase 0.0073 0.1631 0.1631
Schistosoma mansoni nephrin 0.0089 0.2266 0.2266
Brugia malayi hypothetical protein 0.0108 0.3018 0.3018
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0058 0.101 0.101
Trypanosoma brucei Fibronectin type III domain containing protein, putative 0.0058 0.101 0.1424
Echinococcus multilocularis Fibronectin type III domain containing protein 0.0058 0.101 0.101
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0089 0.2266 0.2266
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0058 0.101 0.101
Echinococcus granulosus Dipeptidyl peptidase 9 0.0208 0.7092 0.7092
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0073 0.1631 0.1631
Schistosoma mansoni tripartite motif protein trim9 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0106 0.2956 0.2956
Leishmania major hypothetical protein, conserved 0.0058 0.101 0.1424
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0058 0.101 0.101
Echinococcus granulosus titin 0.0073 0.1631 0.1631
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0208 0.7092 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Schistosoma mansoni factor for adipocyte differentiation 0.0058 0.101 0.101
Brugia malayi prolyl oligopeptidase family protein 0.0208 0.7092 0.7092
Echinococcus granulosus cell adhesion molecule 0.0058 0.101 0.101
Echinococcus granulosus roundabout 2 0.0089 0.2266 0.2266
Echinococcus granulosus Down syndrome cell adhesion molecule 0.0074 0.1644 0.1644
Brugia malayi Immunoglobulin I-set domain containing protein 0.0073 0.1631 0.1631
Schistosoma mansoni hemicentin 0.0073 0.1631 0.1631
Schistosoma mansoni myosin-binding protein-related 0.0073 0.1631 0.1631
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0089 0.2266 0.2266
Schistosoma mansoni vesicular amine transporter 0.0048 0.06 0.06
Echinococcus granulosus G1Y162 protein 0.0058 0.101 0.101
Brugia malayi myotactin form A 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0064 0.1235 0.1235
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0048 0.06 0.06
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0208 0.7092 1
Echinococcus multilocularis neuroglian 0.0089 0.2266 0.2266
Loa Loa (eye worm) hypothetical protein 0.0079 0.1856 0.1856
Onchocerca volvulus 0.0058 0.101 0.101
Echinococcus granulosus Immunoglobulin 0.0048 0.06 0.06
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0073 0.1631 0.1631
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1631 0.1631
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0073 0.1631 0.1631
Schistosoma mansoni factor for adipocyte differentiation 0.0058 0.101 0.101
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0073 0.1631 0.1631
Brugia malayi Lethal protein 805 0.0058 0.101 0.101
Echinococcus granulosus nephrin 0.0073 0.1631 0.1631
Echinococcus multilocularis Fibronectin, type III 0.0058 0.101 0.101
Echinococcus granulosus defective proboscis extension response 0.0048 0.06 0.06
Echinococcus granulosus Fibronectin type III domain containing protein 0.0058 0.101 0.101
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0141 0.4364 1
Echinococcus multilocularis snurportin 1 0.0223 0.7697 0.7697
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0089 0.2266 0.2266
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.01 0.2728 0.2728
Echinococcus multilocularis Immunoglobulin 0.0048 0.06 0.06
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0089 0.2266 0.2266
Schistosoma mansoni neuroglian 0.0089 0.2266 0.2266
Echinococcus granulosus titin 0.0073 0.1631 0.1631
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0089 0.2266 0.2266
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Onchocerca volvulus 0.0073 0.1631 0.1631
Schistosoma mansoni cell adhesion molecule 0.0089 0.2266 0.2266
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0081 0.1927 0.1927
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0089 0.2266 0.2266
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.2266 0.2266
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0058 0.101 0.101
Echinococcus multilocularis Netrin receptor DCC 0.0058 0.101 0.101
Echinococcus multilocularis cell adhesion molecule 0.0058 0.101 0.101
Onchocerca volvulus 0.0058 0.101 0.101
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0074 0.1644 0.1644
Echinococcus granulosus anosmin 1 0.0058 0.101 0.101
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0058 0.101 0.101
Brugia malayi Immunoglobulin I-set domain containing protein 0.0089 0.2266 0.2266
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0223 0.7697 0.7697
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.101 0.1424
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0058 0.101 0.101
Schistosoma mansoni titin 0.0058 0.101 0.101
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0048 0.06 0.06
Echinococcus granulosus twitchin 0.0063 0.1222 0.1222
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0075 0.1702 0.1702
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0058 0.101 0.101
Echinococcus multilocularis fibronectin type III domain-containing protein 0.0058 0.101 0.101
Echinococcus multilocularis roundabout 2 0.0137 0.4212 0.4212
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0048 0.06 0.06
Echinococcus granulosus Netrin receptor DCC 0.0058 0.101 0.101
Echinococcus multilocularis titin 0.0073 0.1631 0.1631
Loa Loa (eye worm) hypothetical protein 0.0073 0.1631 0.1631
Echinococcus granulosus EG95 0.0058 0.101 0.101
Loa Loa (eye worm) projectin 0.0073 0.1631 0.1631
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0064 0.1235 0.1235
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Echinococcus granulosus neuroglian 0.0089 0.2266 0.2266
Onchocerca volvulus 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0058 0.101 0.101
Echinococcus granulosus Phosphotidylinositol phosphatase PTPRQ 0.0058 0.101 0.101
Brugia malayi Lethal protein 805 0.0058 0.101 0.101
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0075 0.1702 0.1702
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0058 0.101 0.101
Echinococcus granulosus snurportin 1 0.0223 0.7697 0.7697
Loa Loa (eye worm) UNCoordinated family member 0.0058 0.101 0.101
Schistosoma mansoni tyrosine kinase 0.0048 0.0602 0.0602
Echinococcus multilocularis transfer RNA-Phe 0.0073 0.1631 0.1631
Onchocerca volvulus 0.0058 0.101 0.101
Echinococcus multilocularis Down syndrome cell adhesion molecule 0.0074 0.1644 0.1644
Echinococcus granulosus usherin 0.0058 0.101 0.101
Onchocerca volvulus 0.0058 0.101 0.101
Schistosoma mansoni titin 0.0073 0.1631 0.1631
Brugia malayi Immunoglobulin I-set domain containing protein 0.0074 0.1644 0.1644
Echinococcus granulosus anosmin 1 0.0058 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0048 0.06 0.06
Onchocerca volvulus 0.0058 0.101 0.101
Schistosoma mansoni cell adhesion molecule 0.0089 0.2266 0.2266
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0058 0.101 0.101
Echinococcus multilocularis Netrin receptor DCC 0.0058 0.101 0.101
Schistosoma mansoni nephrin 0.0121 0.3577 0.3577
Brugia malayi Fibronectin type III domain containing protein 0.0058 0.101 0.101
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0208 0.7092 0.7092
Echinococcus multilocularis usherin 0.0058 0.101 0.101
Schistosoma mansoni cell adhesion molecule 0.0122 0.359 0.359
Loa Loa (eye worm) myotactin form A 0.0058 0.101 0.101
Echinococcus granulosus neuroglian 0.0063 0.1222 0.1222
Onchocerca volvulus 0.0058 0.101 0.101

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.11 uM Inhibition of DPP4 ChEMBL. 21320777
IC50 (binding) = 16 uM Inhibition of DPP9 ChEMBL. 21320777
IC50 (binding) > 35 uM Inhibition of FAP ChEMBL. 21320777
IC50 (binding) = 50 uM Inhibition of DPP8 ChEMBL. 21320777
IC50 (binding) = 81 uM Inhibition of QPP 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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