TDR Targets

Basic information

Technical information

TDR Targets ID: 422938
Name: N-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan- 4-yl]-2-oxopyrimidin-4-yl]benzamide
MW: 317.297 | Formula: C15H15N3O5
H donors: 2 H acceptors: 3 LogP: -0.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1OC[C@H](O1)n1ccc(nc1=O)NC(=O)c1ccccc1
InChi: 1S/C15H15N3O5/c19-8-13-22-9-12(23-13)18-7-6-11(17-15(18)21)16-14(20)10-4-2-1-3-5-10/h1-7,12-13,19H,8-9H2,(H,16,17,20,21)/t12-,13-/m0/s1
InChiKey: KGVNFKGEYSUKCS-STQMWFEESA-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-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxo-pyrimidin-4-yl]benzamide
N-[1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-oxo-4-pyrimidinyl]benzamide
N-[2-keto-1-[(2S,4S)-2-methylol-1,3-dioxolan-4-yl]pyrimidin-4-yl]benzamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Onchocerca volvulus		0.004	0.0999	1
Echinococcus multilocularis	tyrosine kinase	0.004	0.0999	0.0967
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0071	0.4345	0.4325
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0123	1	1
Onchocerca volvulus		0.004	0.0999	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.004	0.0999	0.0967
Echinococcus granulosus	mitogen activated protein kinase 14	0.0123	1	1
Brugia malayi	Protein kinase domain containing protein	0.004	0.0999	0.0967
Brugia malayi	Tyrosine-protein kinase abl-1	0.0071	0.4345	0.4325
Onchocerca volvulus		0.0031	0.0036	0.0361
Echinococcus multilocularis	tyrosine protein kinase shark	0.004	0.0999	0.0967
Onchocerca volvulus		0.004	0.0999	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Schistosoma mansoni	tyrosine kinase	0.004	0.0999	0.2235
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0071	0.4345	0.4325
Echinococcus multilocularis	c src tyrosine kinase	0.0071	0.4345	0.4325
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0071	0.4345	1
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0031	0.0036	0.0361
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0123	1	0.5
Onchocerca volvulus		0.004	0.0999	1
Brugia malayi	Protein kinase domain containing protein	0.004	0.0999	0.0967
Echinococcus multilocularis	NCK adaptor protein	0.0062	0.3382	0.3358
Onchocerca volvulus		0.004	0.0999	1
Brugia malayi	protein-tyrosine kinase	0.004	0.0999	0.0967
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0123	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3382	0.3358
Brugia malayi	hypothetical protein	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.004	0.0999	0.0967
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0062	0.3382	0.3358
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Schistosoma mansoni	tyrosine kinase	0.0071	0.4345	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0062	0.3382	0.3358
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.004	0.0999	0.0967
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0123	1	1
Echinococcus granulosus	tyrosine protein kinase shark	0.004	0.0999	0.0967
Entamoeba histolytica	protein kinase, putative	0.0032	0.0085	0.0509
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.004	0.0999	0.0967
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.004	0.0999	1
Loa Loa (eye worm)	TK protein kinase	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0071	0.4345	0.4325
Loa Loa (eye worm)	SRC-1	0.0071	0.4345	0.4325
Schistosoma mansoni	tyrosine kinase	0.004	0.0999	0.2235
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0062	0.3382	0.7765
Schistosoma mansoni	adapter molecule crk	0.0062	0.3382	0.7765
Brugia malayi	Sex muscle abnormal protein 5	0.0062	0.3382	0.3358
Loa Loa (eye worm)	hypothetical protein	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase Srms	0.004	0.0999	0.0967
Onchocerca volvulus		0.0031	0.0036	0.0361
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0062	0.3382	0.3358
Schistosoma mansoni	tyrosine kinase	0.0071	0.4345	1
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.004	0.0999	0.0967
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0071	0.4345	0.4325
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0123	1	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0123	1	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.004	0.0999	0.0967
Echinococcus granulosus	mitogen activated protein kinase 11	0.0123	1	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.004	0.0999	0.0967
Schistosoma mansoni	growth factor receptor-bound protein	0.0062	0.3382	0.7765
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0071	0.4394	0.4374
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0123	1	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Onchocerca volvulus		0.0031	0.0036	0.0361
Echinococcus granulosus	tyrosine kinase	0.004	0.0999	0.0967
Schistosoma mansoni	tyrosine kinase	0.0071	0.4345	1
Brugia malayi	Variant SH3 domain containing protein	0.0062	0.3382	0.3358
Onchocerca volvulus		0.004	0.0999	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.004	0.0999	0.0967
Onchocerca volvulus		0.0031	0.0036	0.0361
Brugia malayi	SH2 domain containing protein	0.004	0.0999	0.0967
Schistosoma mansoni	tyrosine kinase	0.0071	0.4345	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0062	0.3382	0.7765
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0071	0.4345	0.4325
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Onchocerca volvulus		0.0031	0.0036	0.0361
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Echinococcus granulosus	NCK adaptor protein	0.0062	0.3382	0.3358
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0071	0.4345	0.4325
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.004	0.0999	0.0967
Echinococcus granulosus	growth factor receptor bound protein 2	0.0062	0.3382	0.3358
Brugia malayi	Protein kinase domain containing protein	0.004	0.0999	0.0967
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0071	0.4345	0.4325
Onchocerca volvulus		0.0031	0.0036	0.0361
Brugia malayi	Variant SH3 domain containing protein	0.0062	0.3382	0.3358
Echinococcus granulosus	c src tyrosine kinase	0.0071	0.4345	0.4325
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0071	0.4345	0.4325
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0071	0.4345	0.4325
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0071	0.4345	0.4325
Brugia malayi	Protein kinase domain containing protein	0.004	0.0999	0.0967
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0123	1	1
Brugia malayi	Protein kinase domain containing protein	0.004	0.0999	0.0967
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0031	0.0036	0.0361
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0071	0.4345	0.4325
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Schistosoma mansoni	nck2/grb4	0.0062	0.3382	0.7765
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0071	0.4345	0.4325
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0123	1	1
Echinococcus granulosus	tyrosine protein kinase Srms	0.004	0.0999	0.0967
Brugia malayi	SRC-1	0.0071	0.4345	0.4325
Echinococcus granulosus	tyrosine kinase	0.004	0.0999	0.0967
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0071	0.4345	0.4325
Schistosoma mansoni	serine/threonine protein kinase	0.0039	0.0914	0.2038
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0071	0.4345	0.4325
Loa Loa (eye worm)	TK/FER protein kinase	0.004	0.0999	0.0967
Brugia malayi	SH2 domain containing protein	0.004	0.0999	0.0967
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0032	0.0085	0.0509

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8.53 uM	Cytotoxicity against A549 cells after 72 hrs by SRB assay	ChEMBL.	17419604
IC50 (functional)	= 8.53 uM	Cytotoxicity against A549 cells after 72 hrs by SRB assay	ChEMBL.	17419604
IC50 (functional)	= 13.67 uM	Cytotoxicity against SW1573 cells after 72 hrs by SRB assay	ChEMBL.	17419604
IC50 (functional)	= 13.67 uM	Cytotoxicity against SW1573 cells after 72 hrs by SRB assay	ChEMBL.	17419604

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17419604

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

PubChem: 16221122

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 422938