TDR Targets

Basic information

Technical information

TDR Targets ID: 1488312
Name: 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophe nyl)methyl]pyrimidine-2,4-dione
MW: 379.252 | Formula: C16H19BrN4O2
H donors: 2 H acceptors: 2 LogP: 1.34 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N[C@@H]1CCCN(C1)c1cc(=O)[nH]c(=O)n1Cc1ccccc1Br
InChi: 1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1
InChiKey: RTNHKNRRDBDENT-GFCCVEGCSA-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

6-[(3R)-3-amino-1-piperidyl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
6-[(3R)-3-amino-1-piperidinyl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
6-[(3R)-3-amino-1-piperidyl]-1-(2-bromobenzyl)pyrimidine-2,4-quinone

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
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
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	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
Loa Loa (eye worm)	prolyl oligopeptidase	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
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

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 multilocularis	cysteine protease	0.0137	0.4806	0.4806
Echinococcus granulosus	cathepsin l1	0.0093	0.1659	0.1659
Trypanosoma cruzi	cysteine proteinase, putative	0.0073	0.019	0.0227
Onchocerca volvulus	Cathepsin L homolog	0.0137	0.4806	0.3773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Echinococcus multilocularis	cathepsin b	0.0187	0.8404	0.8404
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0137	0.4806	0.45
Entamoeba histolytica	cysteine proteinase, putative	0.0137	0.4806	1
Loa Loa (eye worm)	fibroinase	0.0137	0.4806	0.45
Loa Loa (eye worm)	hypothetical protein	0.0187	0.8404	0.831
Toxoplasma gondii	cathepsin B	0.0078	0.0557	0.1158
Toxoplasma gondii	cathepsin CPL	0.0137	0.4806	1
Onchocerca volvulus		0.014	0.5015	0.4024
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1659	0.1167
Trypanosoma cruzi	cysteine peptidase, putative	0.0137	0.4806	0.5719
Onchocerca volvulus		0.0137	0.4806	0.3773
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.019	0.019
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0209	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0137	0.4806	0.4806
Brugia malayi	Trypsin family protein	0.014	0.5015	0.5015
Brugia malayi	cathepsin B-like cysteine proteinase	0.0187	0.8404	0.8404
Onchocerca volvulus		0.0137	0.4806	0.3773
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0137	0.4806	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.5015	0.4721
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0078	0.0557	0.1158
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.8404	0.8404
Echinococcus granulosus	cathepsin L cysteine protease	0.0073	0.019	0.019
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0137	0.4806	0.4806
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0073	0.019	0.0227
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0137	0.4806	1
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0078	0.0557	0.0794
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.019	0.019
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.1659	0.1659
Onchocerca volvulus		0.0137	0.4806	0.3773
Onchocerca volvulus		0.0137	0.4806	0.3773
Trypanosoma cruzi	cysteine peptidase, putative	0.0137	0.4806	0.5719
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.019	0.0396
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0137	0.4806	0.4806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Entamoeba histolytica	cysteine proteinase, putative	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.1659	0.3182
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.019	0.019
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.8404	0.8404
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0137	0.4806	0.4806
Loa Loa (eye worm)	prolyl oligopeptidase	0.0209	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Leishmania major	cysteine peptidase A (CPA)	0.0137	0.4806	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0137	0.4806	0.5719
Trypanosoma cruzi	cysteine proteinase, putative	0.0073	0.019	0.0227
Onchocerca volvulus		0.0137	0.4806	0.3773
Echinococcus multilocularis	cathepsin L	0.0073	0.019	0.019
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1659	0.1167
Trypanosoma cruzi	cysteine protease, putative	0.0073	0.019	0.0227
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Echinococcus multilocularis	cathepsin b	0.0187	0.8404	0.8404
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1659	0.1167
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0093	0.1659	0.1974
Brugia malayi	Cathepsin L-like precursor	0.0093	0.1659	0.1659
Echinococcus granulosus	cysteine protease	0.0073	0.019	0.019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0137	0.4806	0.5719
Loa Loa (eye worm)	ctsf protein	0.0137	0.4806	0.45
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0093	0.1659	0.1659
Leishmania major	cathepsin L-like protease	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0137	0.4806	0.4806
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0209	1	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.5015	0.4721
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0187	0.8404	0.8404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Echinococcus granulosus	cathepsin l1	0.0137	0.4806	0.4806
Brugia malayi	cathepsin L-like precursor	0.0093	0.1659	0.1659
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0078	0.0557	0.1158
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0209	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Onchocerca volvulus	Cathepsin F homolog	0.0137	0.4806	0.3773
Echinococcus granulosus	cathepsin b	0.0187	0.8404	0.8404
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Onchocerca volvulus		0.0137	0.4806	0.3773
Onchocerca volvulus	Cathepsin L homolog	0.0137	0.4806	0.3773
Trypanosoma cruzi	cysteine peptidase, putative	0.0137	0.4806	0.5719
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0187	0.8404	0.8404
Loa Loa (eye worm)	hypothetical protein	0.0137	0.4806	0.45
Echinococcus granulosus	cathepsin L	0.0073	0.019	0.019
Echinococcus granulosus	cathepsin b	0.0187	0.8404	0.8404
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.019	0.0396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0187	0.8404	1
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.019	0.0227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0137	0.4806	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.014	0.5015	0.5015
Giardia lamblia	Cathepsin B precursor	0.0078	0.0557	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Entamoeba histolytica	cysteine protease, putative	0.0137	0.4806	1
Entamoeba histolytica	cysteine proteinase, putative	0.0093	0.1659	0.3182
Plasmodium vivax	vivapain-2	0.0137	0.4806	1
Onchocerca volvulus		0.0137	0.4806	0.3773
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.014	0.5015	0.5015
Onchocerca volvulus		0.0104	0.2448	0.0946
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0209	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.1659	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.019	0.019
Schistosoma mansoni	cathepsin F (C01 family)	0.0093	0.1659	0.1659
Giardia lamblia	Cathepsin B precursor	0.0078	0.0557	0.5
Plasmodium vivax	vivapain-2	0.0137	0.4806	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0137	0.4806	0.4806
Echinococcus multilocularis	cysteine protease	0.0137	0.4806	0.4806
Schistosoma mansoni	cathepsin F (C01 family)	0.0137	0.4806	0.4806
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0137	0.4806	1
Loa Loa (eye worm)	cysteine protease	0.0137	0.4806	0.45
Brugia malayi	Cathepsin L-like precursor	0.0137	0.4806	0.4806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.4806	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0137	0.4806	0.45
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0137	0.4806	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0078	0.0557	0.0663
Giardia lamblia	Cathepsin B precursor	0.0078	0.0557	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0078	0.0557	0.0557
Schistosoma mansoni	cathepsin F (C01 family)	0.0137	0.4806	0.4806
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0073	0.019	0.019
Brugia malayi	Papain family cysteine protease containing protein	0.0137	0.4806	0.4806

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.036 uM	Inhibition of human DPP4	ChEMBL.	21186796
IC50 (binding)	> 100 uM	Inhibition of human DPP8	ChEMBL.	21186796

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: CHEMBL1650438

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 1488312