TDR Targets

Basic information

Technical information

TDR Targets ID: 1482311
Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidi n-5-yl]-N-methyl-1-phenylsulfonylpiperidine-4 -carboxamide
MW: 497.567 | Formula: C24H27N5O5S
H donors: 2 H acceptors: 5 LogP: 1.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]c(=O)n(c(c1N(C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C)N)Cc1ccccc1
InChi: 1S/C24H27N5O5S/c1-27(20-21(25)29(24(32)26-22(20)30)16-17-8-4-2-5-9-17)23(31)18-12-14-28(15-13-18)35(33,34)19-10-6-3-7-11-19/h2-11,18H,12-16,25H2,1H3,(H,26,30,32)
InChiKey: ZCWZKWVFIDUTIC-UHFFFAOYSA-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

N-[6-amino-2,4-dioxo-1-(phenylmethyl)pyrimidin-5-yl]-N-methyl-1-phenylsulfonyl-piperidine-4-carboxamide
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-methyl-1-phenylsulfonyl-4-piperidinecarboxamide
N-[6-amino-1-(benzyl)-2,4-diketo-pyrimidin-5-yl]-N-methyl-1-phenylsulfonyl-isonipecotamide
T5447584

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.077	0.3182
Leishmania major	cysteine peptidase A (CPA)	0.0084	0.242	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0084	0.242	0.242
Onchocerca volvulus		0.0084	0.242	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0084	0.242	0.2198
Loa Loa (eye worm)	cathepsin B	0.0068	0.142	0.0866
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0084	0.242	0.242
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0177	0.8278	1
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Echinococcus granulosus	cathepsin b	0.0177	0.8278	0.8278
Echinococcus multilocularis	cysteine protease	0.0084	0.242	0.242
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Toxoplasma gondii	cathepsin CPL	0.0084	0.242	1
Loa Loa (eye worm)	fibroinase	0.0084	0.242	0.2198
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0068	0.142	0.5868
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Onchocerca volvulus		0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.077	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0084	0.242	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0068	0.142	0.1716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Echinococcus multilocularis	cathepsin b	0.0177	0.8278	0.8278
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.242	0.2924
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0084	0.242	1
Giardia lamblia	Cathepsin B precursor	0.0068	0.142	0.5
Echinococcus granulosus	cathepsin b	0.0177	0.8278	0.8278
Onchocerca volvulus		0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0068	0.142	0.5868
Onchocerca volvulus		0.0084	0.242	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0084	0.242	0.242
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.242	0.2924
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0084	0.242	0.242
Onchocerca volvulus		0.0084	0.242	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.242	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0068	0.142	0.142
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.077	0.093
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.077	0.093
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.8278	0.8278
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0084	0.242	1
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Brugia malayi	cathepsin L-like precursor	0.0058	0.077	0.093
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.077	0.077
Entamoeba histolytica	cysteine proteinase, putative	0.0084	0.242	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0084	0.242	0.242
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.8278	0.8278
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0084	0.242	0.242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0084	0.242	0.242
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Giardia lamblia	Cathepsin B precursor	0.0068	0.142	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Loa Loa (eye worm)	ctsf protein	0.0084	0.242	0.2198
Brugia malayi	Cathepsin L-like precursor	0.0058	0.077	0.093
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Onchocerca volvulus	Cathepsin F homolog	0.0084	0.242	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0084	0.242	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Onchocerca volvulus	Cathepsin L homolog	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.242	0.2198
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Plasmodium vivax	vivapain-2	0.0084	0.242	1
Onchocerca volvulus		0.0084	0.242	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.242	0.2924
Giardia lamblia	Cathepsin B precursor	0.0068	0.142	0.5
Plasmodium vivax	vivapain-2	0.0084	0.242	1
Brugia malayi	Cathepsin L-like precursor	0.0084	0.242	0.2924
Echinococcus multilocularis	cysteine protease	0.0084	0.242	0.242
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0177	0.8278	0.8278
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Echinococcus granulosus	cathepsin l1	0.0058	0.077	0.077
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0084	0.242	0.2198
Echinococcus multilocularis	cathepsin L cysteine protease	0.0084	0.242	0.242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Brugia malayi	Papain family cysteine protease containing protein	0.0084	0.242	0.2924
Onchocerca volvulus	Cathepsin L homolog	0.0084	0.242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.8278	0.8278
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8278	1
Echinococcus granulosus	cathepsin l1	0.0084	0.242	0.242
Echinococcus multilocularis	geminin	0.0205	1	1
Echinococcus multilocularis	cathepsin b	0.0177	0.8278	0.8278
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Entamoeba histolytica	cysteine protease, putative	0.0084	0.242	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0177	0.8278	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.242	1
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Leishmania major	cathepsin L-like protease	0.0084	0.242	1
Loa Loa (eye worm)	cysteine protease	0.0084	0.242	0.2198
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.242	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0058	0.077	0.093
Onchocerca volvulus		0.0084	0.242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0084	0.242	1
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.077	0.3182

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.6513 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

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: CHEMBL1717139

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1482311