TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 443.45 | Formula: C21H23F2N7O2
H donors: 1 H acceptors: 3 LogP: 1.46 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCN1C(=O)Cn2c1nc1nc(n(c1c2=O)Cc1cc(F)ccc1F)N1CCC[C@H](C1)N
InChi: 1S/C21H23F2N7O2/c1-2-28-16(31)11-30-19(32)17-18(26-21(28)30)25-20(27-7-3-4-14(24)10-27)29(17)9-12-8-13(22)5-6-15(12)23/h5-6,8,14H,2-4,7,9-11,24H2,1H3/t14-/m1/s1
InChiKey: ULGAIQGMBBLSSH-CQSZACIVSA-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 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
Loa Loa (eye worm)	prolyl oligopeptidase	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
Brugia malayi	prolyl oligopeptidase family protein	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
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	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

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
Schistosoma mansoni	protein kinase	0.0018	0.0484	0.0473
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0017	0.0469	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.007	0.2702	1
Echinococcus granulosus	calcium dependent protein kinase	0.0017	0.0438	0.0419
Trypanosoma brucei	oligopeptidase b	0.0017	0.0441	0.1366
Trichomonas vaginalis	CAMK family protein kinase	0.0018	0.0484	0.1927
Plasmodium falciparum	peptidase, putative	0.0017	0.0441	0.0361
Trichomonas vaginalis	sugar transporter, putative	0.0018	0.0493	0.1973
Chlamydia trachomatis	lysine--tRNA ligase	0.0013	0.0283	1
Trichomonas vaginalis	sugar transporter, putative	0.0018	0.0493	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0441	0.0423
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.216	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0441	0.0423
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0441	0.0423
Brugia malayi	lysyl-tRNA synthetase	0.0013	0.0283	0.0236
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0441	0.9285
Trichomonas vaginalis	sugar transporter, putative	0.0018	0.0493	0.1973
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0209	0.8543	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.007	0.2702	0.3095
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0018	0.0484	0.052
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0209	0.8543	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0008	0.0084	0.5
Schistosoma mansoni	glucose transport protein	0.0057	0.216	0.2455
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0493	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Toxoplasma gondii	protein kinase, putative	0.0162	0.6571	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0209	0.8543	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.002	0.0589	0.193
Trypanosoma brucei	glucose transporter 1E	0.0018	0.0493	0.1564
Schistosoma mansoni	lysyl-tRNA synthetase	0.0013	0.0283	0.0236
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.002	0.0589	0.0779
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0017	0.0441	0.8969
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0017	0.0441	0.7881
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0093	0.3649	0.5495
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2005	0.2309
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0013	0.0283	0.6419
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0493	0.1973
Plasmodium falciparum	protein kinase 7	0.0162	0.6571	0.6542
Brugia malayi	prolyl oligopeptidase family protein	0.007	0.2702	0.3095
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0013	0.0283	0.0961
Loa Loa (eye worm)	sugar transporter	0.0057	0.216	0.2492
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0017	0.0441	0.1366
Schistosoma mansoni	lysyl-tRNA synthetase	0.0013	0.0283	0.0236
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0441	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0441	0.047
Plasmodium vivax	hexose transporter	0.0057	0.216	0.2094
Leishmania major	oligopeptidase b	0.0017	0.0441	0.1366
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0008	0.0084	0.005
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0017	0.0469	0.0455
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.007	0.2702	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Trichomonas vaginalis	glucose transporter, putative	0.0018	0.0493	0.1973
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0008	0.0084	0.005
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0018	0.0484	0.1528
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.007	0.2702	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0017	0.0469	0.9253
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0484	0.052
Toxoplasma gondii	facilitative glucose transporter GT1	0.0057	0.216	0.3201
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0018	0.0484	0.0404
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0017	0.0469	0.0455
Leishmania major	glucose transporter, lmgt3	0.0018	0.0493	0.1564
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0018	0.0484	0.0473
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Loa Loa (eye worm)	sugar transporter	0.0008	0.0084	0.005
Loa Loa (eye worm)	prolyl oligopeptidase	0.0017	0.0441	0.047
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0057	0.216	0.2455
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0013	0.0283	0.6419
Giardia lamblia	Prolyl-tRNA synthetase	0.0017	0.0469	1
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0018	0.0484	0.0404
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Echinococcus multilocularis	prolyl endopeptidase	0.0017	0.0441	0.0423
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0017	0.0441	0.1366
Plasmodium falciparum	hexose transporter	0.0057	0.216	0.2094
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0018	0.0484	0.0404
Schistosoma mansoni	protein kinase	0.0018	0.0484	0.0473
Trypanosoma cruzi	hexose transporter	0.0018	0.0493	0.1564
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0018	0.0493	0.1564
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0017	0.0441	1
Schistosoma mansoni	glucose transport protein	0.0057	0.216	0.2455
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0209	0.8543	1
Plasmodium falciparum	proline--tRNA ligase	0.002	0.0589	0.051
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.007	0.2702	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0018	0.0493	0.1564
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0017	0.0469	0.0455
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0017	0.0441	0.0551
Mycobacterium ulcerans	sugar transporter	0.0008	0.0084	0.1896
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0493	0.1564
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0017	0.0441	0.1366
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0017	0.0441	0.1722
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0013	0.0283	0.3046
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Plasmodium vivax	hypothetical protein, conserved	0.0017	0.0441	0.0361
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.007	0.2702	0.3095
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.007	0.2702	0.4036
Brugia malayi	prolyl oligopeptidase family protein	0.0209	0.8543	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.002	0.0589	0.193
Schistosoma mansoni	glucose transport protein	0.0057	0.216	0.2455
Entamoeba histolytica	protein kinase, putative	0.0018	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0017	0.0469	0.0455
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.002	0.0589	0.193
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0017	0.0441	0.1722
Echinococcus multilocularis	General substrate transporter	0.0049	0.1821	0.2053
Brugia malayi	Cam kinase protein 1	0.0018	0.0484	0.0473
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0018	0.0484	0.0404
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Plasmodium vivax	lysine--tRNA ligase, putative	0.0013	0.0283	0.0201
Entamoeba histolytica	hypothetical protein, conserved	0.0017	0.0441	0.7881
Plasmodium vivax	proline--tRNA ligase, putative	0.002	0.0589	0.051
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0018	0.0484	0.0617
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0441	0.7881
Echinococcus granulosus	prolyl endopeptidase	0.0017	0.0441	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0333	0.0343
Echinococcus granulosus	Dipeptidyl peptidase 9	0.007	0.2702	0.3095
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0469	0.0503
Echinococcus multilocularis	calcium dependent protein kinase	0.0017	0.0438	0.0419
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0018	0.0484	0.0473
Mycobacterium tuberculosis	Probable peptidase	0.0017	0.0441	1
Toxoplasma gondii	hypothetical protein	0.0017	0.0441	0.0551
Brugia malayi	prolyl oligopeptidase family protein	0.0017	0.0441	0.0423
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0017	0.0441	0.1366
Trypanosoma cruzi	hexose transporter, putative	0.001	0.0154	0.0267
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0008	0.0084	0.1896
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0018	0.0493	0.1564
Echinococcus granulosus	acylamino acid releasing enzyme	0.0017	0.0441	0.0423
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0017	0.0441	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0209	0.8543	1
Treponema pallidum	prolyl-tRNA synthetase	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0093	0.3649	0.3595
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0018	0.0484	0.0404
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0017	0.0469	0.0455
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0017	0.0441	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0441	0.047
Brugia malayi	Sugar transporter family protein	0.0057	0.216	0.2455
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0008	0.0084	0.1896
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0441	0.1366
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0244	1	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0017	0.0469	0.1855
Schistosoma mansoni	protein kinase	0.0018	0.0484	0.0473
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0018	0.0484	0.052
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0011	0.0202	0.3308
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0093	0.3649	0.3595
Brugia malayi	hypothetical protein	0.0054	0.2005	0.2271
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0017	0.0441	0.9285
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Echinococcus granulosus	lysyl tRNA synthetase	0.0013	0.0283	0.0236
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0011	0.0217	0.0641
Schistosoma mansoni	hypothetical protein	0.0057	0.216	0.2455
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0017	0.0441	0.0423
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0018	0.0493	0.1564
Trypanosoma brucei	glucose transporter 2A	0.0018	0.0493	0.1564
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.007	0.2702	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0018	0.0484	0.0404
Entamoeba histolytica	protein kinase, putative	0.0018	0.0484	1
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0441	0.1366
Giardia lamblia	Lysyl-tRNA synthetase	0.0013	0.0283	0.5182
Leishmania major	protein kinase, putative	0.0018	0.0484	0.1528
Plasmodium falciparum	lysine--tRNA ligase	0.0013	0.0283	0.0201
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0017	0.0441	0.1366
Trypanosoma cruzi	hypothetical protein, conserved	0.0017	0.0441	0.1366
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0017	0.0441	0.0423
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0493	0.1973
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0011	0.0202	0.3308
Mycobacterium ulcerans	integral membrane transport protein	0.0008	0.0084	0.1896
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0484	0.0473
Toxoplasma gondii	prolyl endopeptidase	0.0017	0.0441	0.0551
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0013	0.0283	0.0762
Echinococcus multilocularis	lysyl tRNA synthetase	0.0013	0.0283	0.0236
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0013	0.0283	0.0762
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.002	0.0589	0.193
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0441	0.7881
Leishmania major	glucose transporter, lmgt1	0.0018	0.0493	0.1564
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.002	0.0589	0.193
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0017	0.0441	1
Trichomonas vaginalis	glucose transporter, putative	0.0018	0.0493	0.1973
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0017	0.0469	0.0455
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0017	0.0441	0.7881
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0017	0.0441	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0283	0.0284
Echinococcus granulosus	General substrate transporter	0.0049	0.1821	0.2053
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0017	0.0441	0.1366
Leishmania major	lysyl-tRNA synthetase, putative	0.0013	0.0283	0.0762
Trypanosoma brucei	glucose transporter, putative	0.0018	0.0493	0.1564
Toxoplasma gondii	lysine-tRNA ligase	0.0013	0.0283	0.0308
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0017	0.0441	0.7881
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0018	0.0484	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0057	0.216	0.2455
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0469	0.0503
Trypanosoma brucei	prolyl endopeptidase	0.0017	0.0441	0.1366
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0441	0.1722
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.0493	0.1564
Trypanosoma cruzi	prolyl endopeptidase	0.0017	0.0441	0.1366
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0018	0.0484	0.0617
Leishmania major	glucose transporter, lmgt2	0.0018	0.0493	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0084	0.005
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0441	0.047
Trypanosoma cruzi	oligopeptidase b	0.0017	0.0441	0.1366
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0018	0.0484	0.0617
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0018	0.0484	0.0404
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0018	0.0484	0.0404
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0018	0.0484	0.0473

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)	= 625 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)	= 625 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: CHEMBL3687982

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1986351