TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.394 | Formula: C17H21N7O2
H donors: 1 H acceptors: 3 LogP: 0.03 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC#CCn1c(nc2c1c(=O)n1c(n2)N(C(=O)C1)C)N1CCC[C@H](C1)N
InChi: 1S/C17H21N7O2/c1-3-4-8-23-13-14(20-17(23)22-7-5-6-11(18)9-22)19-16-21(2)12(25)10-24(16)15(13)26/h11H,5-10,18H2,1-2H3/t11-/m1/s1
InChiKey: PPMZXTYNICRHMC-LLVKDONJSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
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
Brugia malayi	prolyl oligopeptidase family protein	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
Candida albicans	dipeptidyl aminopeptidase B	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 aminopeptidaseprotein	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
Loa Loa (eye worm)	prolyl oligopeptidase	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Dipeptidyl peptidase 9	0.007	0.2869	0.311
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0209	0.9038	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.007	0.2869	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0019	0.0589	0.1814
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Brugia malayi	Cam kinase protein 1	0.0017	0.0484	0.0447
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0019	0.0589	0.1814
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0017	0.0481	0.1425
Leishmania major	oligopeptidase b	0.0017	0.0481	0.1425
Leishmania major	protein kinase, putative	0.0017	0.0484	0.1437
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0481	0.1425
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0017	0.0484	0.0492
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0012	0.0283	0.0717
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0016	0.0469	0.958
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0016	0.0469	0.9253
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0481	0.0488
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.007	0.2869	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0019	0.0589	0.1814
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0209	0.9038	1
Trichomonas vaginalis	CAMK family protein kinase	0.0017	0.0484	0.1927
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0481	0.0443
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Leishmania major	glucose transporter, lmgt1	0.0017	0.0493	0.1471
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0054	0.216	0.2319
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0481	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0017	0.0484	0.0404
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0481	0.1425
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0017	0.0481	1
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0493	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0017	0.0481	0.1425
Plasmodium vivax	hexose transporter	0.0054	0.216	0.2094
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0017	0.0481	0.1425
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0017	0.0481	0.9837
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Brugia malayi	Sugar transporter family protein	0.0054	0.216	0.2319
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0017	0.0481	0.0443
Brugia malayi	lysyl-tRNA synthetase	0.0012	0.0283	0.0223
Brugia malayi	hypothetical protein	0.0054	0.2132	0.2288
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0469	0.0475
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0493	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0493	0.1973
Entamoeba histolytica	hypothetical protein, conserved	0.0017	0.0481	0.9837
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0017	0.0481	0.0612
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0481	0.0443
Mycobacterium ulcerans	sugar transporter	0.0008	0.0084	0.1742
Brugia malayi	prolyl oligopeptidase family protein	0.007	0.2869	0.311
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.007	0.2869	0.4293
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0481	0.1425
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0493	0.1471
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0017	0.0481	0.1425
Echinococcus granulosus	lysyl tRNA synthetase	0.0012	0.0283	0.0223
Schistosoma mansoni	glucose transport protein	0.0054	0.216	0.2319
Plasmodium falciparum	peptidase, putative	0.0017	0.0481	0.04
Leishmania major	glucose transporter, lmgt3	0.0017	0.0493	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0017	0.0484	0.1437
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0017	0.0481	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Toxoplasma gondii	protein kinase, putative	0.0154	0.6571	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.007	0.2869	0.311
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0012	0.0283	0.2918
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0088	0.3649	0.3595
Plasmodium falciparum	hexose transporter	0.0054	0.216	0.2094
Plasmodium vivax	lysine--tRNA ligase, putative	0.0012	0.0283	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2132	0.2324
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0209	0.9038	1
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.216	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0481	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0017	0.0481	0.9837
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Plasmodium vivax	proline--tRNA ligase, putative	0.0019	0.0589	0.051
Plasmodium falciparum	protein kinase 7	0.0154	0.6571	0.6542
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0209	0.9038	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0019	0.0589	0.0779
Trypanosoma brucei	glucose transporter 2A	0.0017	0.0493	0.1471
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0012	0.0283	0.5895
Loa Loa (eye worm)	prolyl oligopeptidase	0.0209	0.9038	1
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.007	0.2869	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0484	0.0492
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0017	0.0484	0.0492
Loa Loa (eye worm)	sugar transporter	0.0054	0.216	0.2355
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0481	0.04
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0017	0.0484	0.0404
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0017	0.0493	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0283	0.0269
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.007	0.2869	0.311
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0484	0.0447
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0016	0.0469	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0481	0.0488
Echinococcus granulosus	prolyl endopeptidase	0.0017	0.0481	0.0443
Leishmania major	lysyl-tRNA synthetase, putative	0.0012	0.0283	0.0717
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0017	0.0493	0.1471
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0017	0.0484	0.0447
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0481	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0017	0.0484	0.0617
Giardia lamblia	Prolyl-tRNA synthetase	0.0016	0.0469	0.9705
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0017	0.0484	0.0404
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0017	0.0481	0.1425
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0017	0.0481	0.1425
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0481	0.1911
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0493	0.1973
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0016	0.0469	0.043
Entamoeba histolytica	protein kinase, putative	0.0017	0.0484	1
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0017	0.0481	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0481	0.9837
Toxoplasma gondii	facilitative glucose transporter GT1	0.0054	0.216	0.3201
Trypanosoma brucei	prolyl endopeptidase	0.0017	0.0481	0.1425
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0493	0.1471
Trypanosoma cruzi	hexose transporter	0.0017	0.0493	0.1471
Trypanosoma brucei	oligopeptidase b	0.0017	0.0481	0.1425
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0008	0.0084	0.5
Schistosoma mansoni	glucose transport protein	0.0054	0.216	0.2319
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0481	0.9837
Schistosoma mansoni	lysyl-tRNA synthetase	0.0012	0.0283	0.0223
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0012	0.0283	0.0717
Echinococcus multilocularis	calcium dependent protein kinase	0.0016	0.0438	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Trichomonas vaginalis	glucose transporter, putative	0.0017	0.0493	0.1973
Toxoplasma gondii	hypothetical protein	0.0017	0.0481	0.0612
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0017	0.0484	0.0404
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0017	0.0484	0.0404
Plasmodium falciparum	lysine--tRNA ligase	0.0012	0.0283	0.0201
Echinococcus granulosus	General substrate transporter	0.0047	0.1821	0.194
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0481	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0469	0.0475
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0017	0.0484	0.0404
Toxoplasma gondii	lysine-tRNA ligase	0.0012	0.0283	0.0308
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0008	0.0084	0.1742
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0012	0.0283	0.5895
Schistosoma mansoni	lysyl-tRNA synthetase	0.0012	0.0283	0.0223
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0017	0.0481	0.1911
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0016	0.0469	0.043
Plasmodium falciparum	proline--tRNA ligase	0.0019	0.0589	0.051
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0019	0.0589	0.1814
Chlamydia trachomatis	lysine--tRNA ligase	0.0012	0.0283	1
Trichomonas vaginalis	glucose transporter, putative	0.0017	0.0493	0.1973
Echinococcus granulosus	calcium dependent protein kinase	0.0016	0.0438	0.0396
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0008	0.0084	0.0047
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0493	0.1471
Echinococcus multilocularis	lysyl tRNA synthetase	0.0012	0.0283	0.0223
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.001	0.0202	0.2981
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Schistosoma mansoni	protein kinase	0.0017	0.0484	0.0447
Schistosoma mansoni	protein kinase	0.0017	0.0484	0.0447
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0017	0.0484	0.0617
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0017	0.0481	0.0443
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.007	0.2869	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0017	0.0493	0.1471
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0017	0.0481	1
Entamoeba histolytica	protein kinase, putative	0.0017	0.0484	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.001	0.0202	0.2981
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0017	0.0493	0.1471
Schistosoma mansoni	glucose transport protein	0.0054	0.216	0.2319
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0012	0.0283	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0017	0.0484	0.0447
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Mycobacterium ulcerans	integral membrane transport protein	0.0008	0.0084	0.1742
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0231	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0481	0.0443
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0016	0.0469	0.043
Trypanosoma brucei	glucose transporter, putative	0.0017	0.0493	0.1471
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0011	0.0217	0.0641
Trichomonas vaginalis	sugar transporter, putative	0.0017	0.0493	0.1973
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0088	0.3649	0.5495
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0017	0.0484	0.0404
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0481	0.1911
Leishmania major	glucose transporter, lmgt2	0.0017	0.0493	0.1471
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0017	0.0481	0.1425
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0008	0.0084	0.0047
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0088	0.3649	0.3595
Schistosoma mansoni	hypothetical protein	0.0054	0.216	0.2319
Loa Loa (eye worm)	sugar transporter	0.0008	0.0084	0.0047
Trypanosoma brucei	glucose transporter 1E	0.0017	0.0493	0.1471
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0016	0.0469	0.043
Schistosoma mansoni	protein kinase	0.0017	0.0484	0.0447
Brugia malayi	prolyl oligopeptidase family protein	0.0209	0.9038	1
Treponema pallidum	prolyl-tRNA synthetase	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0017	0.0484	0.0617
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0481	0.1425
Toxoplasma gondii	prolyl endopeptidase	0.0017	0.0481	0.0612
Trypanosoma cruzi	hexose transporter, putative	0.0009	0.0154	0.0251
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0016	0.0469	0.043
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0008	0.0084	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0333	0.0324
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0016	0.0469	0.043
Mycobacterium tuberculosis	Probable peptidase	0.0017	0.0481	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0017	0.0484	0.0447
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.007	0.2869	1
Trypanosoma cruzi	prolyl endopeptidase	0.0017	0.0481	0.1425
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0017	0.0484	0.0404
Echinococcus multilocularis	prolyl endopeptidase	0.0017	0.0481	0.0443
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0481	0.9837
Echinococcus multilocularis	General substrate transporter	0.0047	0.1821	0.194
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0054	0.216	0.2319
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0481	0.0443
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0017	0.0484	0.0404
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0019	0.0589	0.1814
Giardia lamblia	Lysyl-tRNA synthetase	0.0012	0.0283	0.5029
Echinococcus granulosus	acylamino acid releasing enzyme	0.0017	0.0481	0.0443
Loa Loa (eye worm)	prolyl oligopeptidase	0.0017	0.0481	0.0488
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0481	0.0443

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assay	ChEMBL.	27190600
IC50 (binding)	= 123 nM	BindingDB_Patents: Enzyme Inhibition Assay. DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC group. The reaction was monitored at the excitation wavelength of 360 nm and emission wavelength of 460 nm in a black 384-well plate using a PHERAstar Plus plate reader (BMG Labtech., Inc.) set at 37 C. The 30 ul assay solution contained 20 pM recombinant human DPP4 and 50 uM Gly-Pro-AMC substrate in assay buffer (100 mM HEPES, 100 mM NaCl, 0.1 mg/ml BSA, pH 7.5). The reaction was linear for at least 30 min (initial velocity) after addition of the substrate (no inhibitor control). All materials and reagents were pre-incubated at 37 C. prior to start of the experiment. Test compounds were serially diluted (3-fold) in 100% DMSO to avoid solubility issues; working solutions in 3% DMSO were prepared using assay buffer. 10 ul each of enzyme and compound solutions were mixed and pre-incubated at 37 C. for 30 minutes.	ChEMBL.	No reference
IC50 (binding)	= 123 nM	Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay	ChEMBL.	27190600
IC50 (binding)	> 100 uM	Inhibition of DPP9 (unknown origin) preincubated for 20 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assay	ChEMBL.	27190600
IC50 (binding)	> 100 uM	Inhibition of recombinant DPP8 (unknown origin) preincubated for 20 mins followed by Ala-Pro-AFC addition measured for 40 mins by continuous fluorescence assay	ChEMBL.	27190600
IC50 (binding)	> 100 uM	Inhibition of QPP (unknown origin) preincubated for 30 mins followed by Nle-Pro-AMC addition measured for 50 mins by continuous fluorescence assay	ChEMBL.	27190600

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.

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External resources for this compound

ChEMBL: CHEMBL3687980

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1986349