TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.409 | Formula: C17H24F2N6O
H donors: 1 H acceptors: 3 LogP: 0.18 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC(C1)(F)F)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cnccn1
InChi: 1S/C17H24F2N6O/c18-17(19)1-4-25(12-17)16(26)14-9-13(10-22-14)23-5-7-24(8-6-23)15-11-20-2-3-21-15/h2-3,11,13-14,22H,1,4-10,12H2/t13-,14-/m0/s1
InChiKey: XFZMONZBKARRRP-KBPBESRZSA-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 8	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 4	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 7	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	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
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
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Echinococcus multilocularis	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:K08656 dipeptidyl-peptidase 9, putative	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
Brugia malayi	prolyl oligopeptidase family protein	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 cruzi	dipeptidyl-peptidase 8-like serine peptidase	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 japonicum	ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative	Get druggable targets OG5_139351	All targets in OG5_139351
Trypanosoma brucei gambiense	dipeptidyl-peptidase 8-like serine protease	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
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus granulosus	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
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	Get druggable targets OG5_139351	All targets in OG5_139351
Leishmania donovani	serine peptidase, Clan SC, Family S9B	Get druggable targets OG5_129743	All targets in OG5_129743
Echinococcus multilocularis	Dipeptidyl peptidase 9	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 cruzi	serine peptidase, Clan SC, Family S9B	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
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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	serine carboxypeptidase S28, putative	dipeptidyl-peptidase 7	492 aa	471 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0208	0.15	1
Loa Loa (eye worm)	hypothetical protein	0.07	0.7704	0.7702
Echinococcus multilocularis	tyrosine protein kinase shark	0.0212	0.155	0.2882
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0135	0.0582	0.0575
Brugia malayi	prolyl oligopeptidase family protein	0.0208	0.15	0.1493
Onchocerca volvulus		0.0564	0.5998	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0386	0.3742	0.6958
Schistosoma mansoni	serine/threonine protein kinase	0.0394	0.3853	0.7163
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0135	0.0582	0.0575
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.015	0.0776	0.0768
Schistosoma mansoni	atypical protein kinase C	0.0223	0.1689	0.3139
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0091	0.003	0.0055
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0456	0.4636	0.8619
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0135	0.0582	0.1083
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0208	0.15	0.2789
Echinococcus granulosus	protein kinase c iota type	0.0223	0.1689	0.3139
Echinococcus multilocularis	unc 13 (munc13)	0.0098	0.0112	0.0209
Schistosoma mansoni	serine/threonine protein kinase	0.0386	0.3742	0.6958
Echinococcus granulosus	protein kinase C gamma type	0.0307	0.2747	0.5106
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0754	0.0747
Schistosoma mansoni	tyrosine kinase	0.0207	0.1489	0.2768
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.028	0.2405	0.447
Echinococcus multilocularis	protein kinase c epsilon type	0.0515	0.5379	1
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0141	0.0652	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0135	0.0582	0.0575
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0098	0.0112	0.0209
Entamoeba histolytica	protein kinase, putative	0.0137	0.0608	0.013
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0386	0.3742	0.3737
Brugia malayi	protein kinase C3,putative	0.0091	0.003	0.0022
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0456	0.4636	0.8619
Brugia malayi	Protein kinase domain containing protein	0.0135	0.0582	0.0575
Echinococcus multilocularis	protein kinase c iota type	0.0223	0.1689	0.3139
Loa Loa (eye worm)	hypothetical protein	0.0564	0.5998	0.5995
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0515	0.5379	0.5375
Loa Loa (eye worm)	hypothetical protein	0.0249	0.2017	0.2011
Brugia malayi	C1-like domain containing protein	0.015	0.0776	0.0768
Brugia malayi	Fes/CIP4 homology domain containing protein	0.0139	0.0626	0.0619
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Schistosoma mansoni	serine/threonine protein kinase	0.0135	0.0582	0.1083
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0161	0.0911	0.1694
Echinococcus granulosus	serine:threonine protein kinase N2	0.025	0.2037	0.3786
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0135	0.0582	0.1083
Echinococcus granulosus	rho-associated protein kinase 1	0.0286	0.2484	0.4618
Echinococcus granulosus	N chimaerin	0.0093	0.0044	0.0082
Schistosoma mansoni	serine/threonine protein kinase	0.0515	0.5379	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0135	0.0582	0.1083
Schistosoma mansoni	tyrosine kinase	0.0212	0.155	0.2882
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0233	0.0226
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0161	0.0911	0.1694
Echinococcus granulosus	NDR protein kinase	0.0135	0.0582	0.1083
Schistosoma mansoni	unc-13 (munc13)	0.0098	0.0112	0.0209
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0135	0.0582	0.1083
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0137	0.0608	0.06
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.003	0.0055
Brugia malayi	p70 ribosomal S6 kinase beta	0.0135	0.0582	0.0575
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0208	0.15	0.5
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0208	0.15	0.5
Brugia malayi	Protein kinase domain containing protein	0.0137	0.0608	0.06
Brugia malayi	prolyl oligopeptidase family protein	0.028	0.2405	0.2399
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0093	0.0044	0.0036
Echinococcus multilocularis	myotubularin protein 13	0.009	0.0008	0.0015
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.028	0.2405	0.447
Brugia malayi	Protein kinase domain containing protein	0.0135	0.0582	0.0575
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0456	0.4636	0.8619
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0208	0.15	0.2789
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0208	0.15	0.5
Echinococcus granulosus	myotubularin protein 13	0.009	0.0008	0.0015
Onchocerca volvulus		0.0147	0.0729	0.1047
Loa Loa (eye worm)	hypothetical protein	0.0564	0.5998	0.5995
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0386	0.3742	0.6958
Brugia malayi	Hr1 repeat family protein	0.0386	0.3742	0.3737
Echinococcus granulosus	protein kinase c epsilon type	0.0515	0.5379	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0288	0.2509	1
Loa Loa (eye worm)	thyroid receptor interactor	0.0139	0.0626	0.0619
Trichomonas vaginalis	AGC family protein kinase	0.0135	0.0582	0.6512
Echinococcus multilocularis	rho associated protein kinase	0.0286	0.2484	0.4618
Trichomonas vaginalis	AGC family protein kinase	0.0135	0.0582	0.6512
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0135	0.0582	0.1083
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0135	0.0582	0.1083
Entamoeba histolytica	protein kinase, putative	0.0137	0.0608	0.013
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0911	0.0904
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0208	0.15	0.2789
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0093	0.0044	0.0082
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0093	0.0044	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0112	0.0105
Echinococcus multilocularis	N chimaerin	0.0093	0.0044	0.0082
Echinococcus granulosus	serine:threonine protein kinase N2	0.0286	0.2484	0.4618
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0135	0.0582	0.0575
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0093	0.0044	0.0082
Onchocerca volvulus		0.0286	0.2484	0.4029
Echinococcus multilocularis	serine:threonine protein kinase N2	0.025	0.2037	0.3786
Brugia malayi	protein kinase C II.	0.0515	0.5379	0.5375
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0394	0.3853	0.7163
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.028	0.2405	0.3895
Loa Loa (eye worm)	hypothetical protein	0.0564	0.5998	0.5995
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0208	0.15	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0135	0.0582	0.0575
Schistosoma mansoni	serine/threonine protein kinase	0.0135	0.0582	0.1083
Loa Loa (eye worm)	hypothetical protein	0.0652	0.7104	0.7102
Brugia malayi	RhoGAP domain containing protein	0.0093	0.0044	0.0036
Schistosoma mansoni	protein kinase C mu	0.015	0.0776	0.1442
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.015	0.0776	0.0768
Brugia malayi	Protein kinase c protein 2	0.0263	0.2194	0.2188
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0417	0.4143	0.7703
Loa Loa (eye worm)	hypothetical protein	0.01	0.0143	0.0136
Onchocerca volvulus		0.0282	0.2437	0.395
Trichomonas vaginalis	AGC family protein kinase	0.0137	0.0608	1
Onchocerca volvulus		0.0149	0.0754	0.109
Echinococcus multilocularis	serine threonine protein kinase	0.0307	0.2747	0.5106
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0135	0.0582	0.1083
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.003	0.0055
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0091	0.003	0.0022
Brugia malayi	Protein kinase domain containing protein	0.0091	0.003	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0729	0.0721
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0175	0.1088	0.1081
Echinococcus multilocularis	RNA directed DNA polymerase	0.0161	0.0911	0.1694
Trichomonas vaginalis	AGC family protein kinase	0.0135	0.0582	0.6512
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0098	0.0112	0.0209
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.028	0.2405	0.447
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0093	0.0044	0.0082
Schistosoma mansoni	serine/threonine protein kinase	0.0286	0.2484	0.4618
Schistosoma mansoni	serine/threonine kinase	0.0135	0.0582	0.1083
Schistosoma mansoni	unc-13 (munc13)	0.0098	0.0112	0.0209
Echinococcus granulosus	Protein kinase C brain isozyme	0.0394	0.3853	0.7163
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0882	1	1
Schistosoma mansoni	vav2	0.0095	0.0069	0.0129
Echinococcus granulosus	unc 13 munc13	0.0098	0.0112	0.0209
Loa Loa (eye worm)	prolyl oligopeptidase	0.028	0.2405	0.2399
Schistosoma mansoni	serine/threonine protein kinase	0.0394	0.3853	0.7163
Schistosoma mansoni	protein kinase C	0.0098	0.0112	0.0209
Brugia malayi	Variant SH3 domain containing protein	0.0093	0.0044	0.0036
Echinococcus granulosus	tyrosine protein kinase shark	0.0212	0.155	0.2882
Schistosoma mansoni	serine/threonine protein kinase	0.0135	0.0582	0.1083
Brugia malayi	hypothetical protein	0.0108	0.0233	0.0226
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0091	0.003	0.0055

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.6 nM	Inhibition of human recombinant DPP4	ChEMBL.	19275964
IC50 (binding)	= 0.54 uM	Inhibition of human recombinant DPP8	ChEMBL.	19275964
IC50 (binding)	= 0.66 uM	Inhibition of human recombinant DPP2	ChEMBL.	19275964
Inhibition (binding)	= 5.4 %	Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells at 10 uM	ChEMBL.	19275964

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

ChEMBL: CHEMBL474409

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 977174