TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 278.35 | Formula: C14H22N4O2
H donors: 1 H acceptors: 3 LogP: -0.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#C[C@@H]1CCCN1C(=O)[C@H]1N[C@@H]([C@H](C1)C(=O)N(C)C)C
InChi: 1S/C14H22N4O2/c1-9-11(13(19)17(2)3)7-12(16-9)14(20)18-6-4-5-10(18)8-15/h9-12,16H,4-7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChiKey: SWPBVLLEPCHDKU-RHYQMDGZSA-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
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
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
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
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	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
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
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0819	0.0902
Onchocerca volvulus	Peroxidase homolog	0.0087	0.1771	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.005	0.0743	0.083
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0345	0.8956	0.9858
Trypanosoma cruzi	oligopeptidase b	0.005	0.0743	0.083
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.1771	0.1951
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0345	0.8956	1
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0743	0.5
Mycobacterium tuberculosis	Probable peptidase	0.005	0.0743	0.0393
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0383	1	1
Toxoplasma gondii	hypothetical protein	0.005	0.0743	0.078
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Onchocerca volvulus	Peroxidasin homolog	0.0087	0.1771	0.1614
Brugia malayi	hypothetical protein	0.0161	0.3841	0.423
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.1	0.1101
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0743	0.5
Echinococcus granulosus	peroxidasin	0.0087	0.1771	0.1614
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0743	0.083
Brugia malayi	Blistered cuticle protein 3	0.0087	0.1771	0.1951
Loa Loa (eye worm)	hypothetical protein	0.0161	0.3841	0.423
Brugia malayi	beta-lactamase family protein	0.0036	0.0364	0.0401
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0383	1	1
Toxoplasma gondii	prolyl endopeptidase	0.005	0.0743	0.078
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0743	0.0435
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.005	0.0743	0.0435
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.1771	0.1951
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0743	0.0435
Brugia malayi	beta-lactamase family protein	0.0036	0.0364	0.0401
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.005	0.0743	0.0743
Trypanosoma cruzi	prolyl endopeptidase	0.005	0.0743	0.083
Brugia malayi	Peroxidasin	0.0087	0.1771	0.1951
Schistosoma mansoni	peroxidasin	0.0087	0.1771	0.1614
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0743	0.5
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.005	0.0743	0.083
Brugia malayi	hypothetical protein	0.0087	0.1771	0.1951
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0364	0.0364
Echinococcus multilocularis	acylamino acid releasing enzyme	0.005	0.0743	0.0435
Echinococcus granulosus	prolyl endopeptidase	0.005	0.0743	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0743	0.0819
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.005	0.0743	1
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0743	0.083
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.005	0.0743	0.0435
Onchocerca volvulus	Peroxidase homolog	0.0087	0.1771	0.1614
Onchocerca volvulus	Dual oxidase homolog	0.0087	0.1771	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.005	0.0743	0.083
Onchocerca volvulus		0.0087	0.1771	0.1614
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0211	0.5222	1
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.005	0.0743	0.083
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0364	0.0407
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0364	0.0401
Onchocerca volvulus	Chorion peroxidase homolog	0.0087	0.1771	0.1614
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0743	0.5
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0345	0.8956	0.9858
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0364	0.0364
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.035	0.9079	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1	0.0729
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1	0.0729
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0383	1	0.5
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.005	0.0743	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.5768	0.5608
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Brugia malayi	jmjC domain containing protein	0.0059	0.1	0.1101
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.1	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.1771	0.1951
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.1771	0.1951
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0364	0.0401
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0364	0.0407
Brugia malayi	prolyl oligopeptidase family protein	0.035	0.9079	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Entamoeba histolytica	prolyl oligopeptidase family protein	0.005	0.0743	0.5
Leishmania major	oligopeptidase b	0.005	0.0743	0.083
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.1	0.0729
Onchocerca volvulus		0.0087	0.1771	0.1614
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0364	0.0364
Onchocerca volvulus	Peroxidasin homolog	0.0087	0.1771	0.1614
Loa Loa (eye worm)	blistered cuticle protein 3	0.0087	0.1771	0.1951
Loa Loa (eye worm)	hypothetical protein	0.0184	0.4477	0.4931
Mycobacterium ulcerans	lipase LipD	0.0036	0.0364	0.0364
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.1771	0.1951
Entamoeba histolytica	hypothetical protein, conserved	0.005	0.0743	0.5
Loa Loa (eye worm)	prolyl oligopeptidase	0.035	0.9079	1
Brugia malayi	beta-lactamase	0.0036	0.0364	0.0401
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0743	0.0819
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0345	0.8956	1
Trypanosoma brucei	prolyl oligopeptidase, putative	0.005	0.0743	0.083
Trypanosoma cruzi	oligopeptidase b	0.005	0.0743	0.083
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.1771	0.1951
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0383	1	1
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.005	0.0743	0.0393
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0364	0.0407
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0345	0.8956	0.9858
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Echinococcus multilocularis	prolyl endopeptidase	0.005	0.0743	0.0435
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0383	1	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.005	0.0743	0.083
Giardia lamblia	Alanyl dipeptidyl peptidase	0.005	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0383	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0743	0.0819
Onchocerca volvulus	Prolyl endopeptidase homolog	0.005	0.0743	0.0435
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0743	0.0393
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0364	0.0364
Entamoeba histolytica	fatty acid elongase, putative	0.005	0.0743	0.5
Loa Loa (eye worm)	prolyl oligopeptidase	0.005	0.0743	0.0819
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.1771	0.1951
Loa Loa (eye worm)	hypothetical protein	0.005	0.0743	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.035	0.9079	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0345	0.8956	1
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.005	0.0743	0.078
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0345	0.8956	1
Entamoeba histolytica	fatty acid elongase, putative	0.005	0.0743	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Loa Loa (eye worm)	animal heme peroxidase	0.0087	0.1771	0.1951
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.005	0.0743	0.5
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0383	1	1
Entamoeba histolytica	fatty acid elongase, putative	0.005	0.0743	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0087	0.1771	0.1951
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0743	1
Brugia malayi	prolyl oligopeptidase family protein	0.005	0.0743	0.0819
Onchocerca volvulus		0.0087	0.1771	0.1614
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.035	0.9079	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0819	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Schistosoma mansoni	peroxidasin	0.0087	0.1771	0.1614
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0364	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.005	0.0743	0.083
Leishmania major	hypothetical protein, conserved	0.0036	0.0364	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0364	0.0401
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0345	0.8956	1
Brugia malayi	jmjC domain containing protein	0.0059	0.1	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Entamoeba histolytica	fatty acid elongase, putative	0.005	0.0743	0.5
Trypanosoma brucei	prolyl endopeptidase	0.005	0.0743	0.083
Entamoeba histolytica	fatty acid elongase, putative	0.005	0.0743	0.5
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.1	0.0729
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.005	0.0743	1
Echinococcus multilocularis	peroxidasin	0.0087	0.1771	0.1614
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.1	0.0729
Echinococcus granulosus	acylamino acid releasing enzyme	0.005	0.0743	0.0435
Trypanosoma brucei	oligopeptidase b	0.005	0.0743	0.083
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1771	0.1951
Brugia malayi	prolyl oligopeptidase family protein	0.0345	0.8956	0.9864
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.1	0.0729
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.035	0.9079	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 70 nM	Inhibition of human DPP4	ChEMBL.	17962025
IC50 (binding)	= 70 nM	Inhibition of human DPP4	ChEMBL.	17962025
Inhibition (functional)	0	Ex vivo inhibition of DPP4 in Sprague-Dawley rat plasma at 0.3 mg/kg, po after 6 hrs	ChEMBL.	17962025

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: CHEMBL260543

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 515437