TDR Targets

Basic information

Technical information

TDR Targets ID: 254646
Name: [(2S)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydr oxypropan-2-yl]oxymethylphosphonic acid
MW: 294.202 | Formula: C8H15N4O6P
H donors: 5 H acceptors: 6 LogP: -2.68 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H](OCP(=O)(O)O)COc1cc(N)nc(n1)N
InChi: 1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m0/s1
InChiKey: SDORNFBUOMQVCA-YFKPBYRVSA-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

[(1S)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid
[(1S)-1-[(2,6-diamino-4-pyrimidinyl)oxymethyl]-2-hydroxyethoxy]methylphosphonic acid
[(2S)-1-[2,6-bis(azanyl)pyrimidin-4-yl]oxy-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
[(2S)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxy-propan-2-yl]oxymethylphosphonic acid
(S)-HPMPO-DAPym
AIDS-216015
AIDS216015
Phosphonic acid, [[(1S)-2-[(2,6-diamino-4-pyrimidinyl)oxy]-1-(hydroxymethyl)ethoxy]methyl]-
(S)-HPMPO-DAPy

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
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Echinococcus granulosus	neurogenic locus notch protein 4	0.005	0.1848	0.1433
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Echinococcus multilocularis	fibropellin Ia	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Echinococcus multilocularis	neurogenic locus notch protein	0.005	0.1848	0.1433
Echinococcus multilocularis	Tolloid protein 1	0.0131	1	1
Schistosoma mansoni	egf-like domain protein	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Echinococcus granulosus	neurogenic locus protein delta	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	notch protein	0.005	0.1848	0.1848
Giardia lamblia	High cysteine protein	0.005	0.1848	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0243	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Brugia malayi	Cadherin domain containing protein	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Echinococcus multilocularis	neurogenic locus notch protein	0.005	0.1848	0.1433
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0131	1	1
Brugia malayi	Cadherin domain containing protein	0.005	0.1848	0.1433
Echinococcus granulosus	notch	0.005	0.1848	0.1433
Echinococcus multilocularis	laminin	0.0131	1	1
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Echinococcus multilocularis	notch	0.005	0.1848	0.1433
Echinococcus multilocularis	neurogenic locus notch protein 4	0.005	0.1848	0.1433
Echinococcus granulosus	neural cadherin	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	Fibulin-1 precursor	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Echinococcus multilocularis	protein jagged 2	0.005	0.1848	0.1433
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.1848	0.1433
Brugia malayi	notch-like transmembrane receptor	0.005	0.1848	0.1433
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0131	1	1
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Echinococcus multilocularis	fat cadherin tumor suppressor	0.005	0.1848	0.1433
Echinococcus granulosus	slit 2 protein	0.005	0.1848	0.1433
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Brugia malayi	GCC2 and GCC3 family protein	0.005	0.1848	0.1433
Schistosoma mansoni	slit	0.005	0.1848	0.1119
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0131	1	1
Echinococcus multilocularis	slit 2 protein	0.005	0.1848	0.1433
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.0243	0.5
Schistosoma mansoni	notch	0.005	0.1848	0.1119
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Echinococcus granulosus	protein jagged 1	0.005	0.1848	0.1433
Brugia malayi	Delta serrate ligand family protein	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Echinococcus multilocularis	neurogenic locus protein delta	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Echinococcus granulosus	neurogenic locus notch protein	0.005	0.1848	0.1433
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.0484	0.0484
Echinococcus multilocularis	protein jagged 1	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0131	1	1
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	Muscle positioning protein 4	0.005	0.1848	0.1433
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.005	0.1848	0.1119
Echinococcus multilocularis	neurogenic locus protein delta	0.005	0.1848	0.1433
Echinococcus granulosus	laminin	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Echinococcus granulosus	protein jagged 2	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Onchocerca volvulus	Arrow homolog	0.0131	1	1
Schistosoma mansoni	cell polarity protein	0.005	0.1848	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Echinococcus multilocularis	fibrillin 1	0.0131	1	1
Echinococcus granulosus	fibropellin Ia	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Echinococcus granulosus	Tolloid protein 1	0.0131	1	1
Echinococcus granulosus	delta-like protein 1	0.005	0.1848	0.1433
Echinococcus multilocularis	neural cadherin	0.005	0.1848	0.1433
Schistosoma mansoni	hypothetical protein	0.005	0.1848	0.1119
Echinococcus multilocularis	protein jagged 1	0.005	0.1848	0.1433
Echinococcus granulosus	protein jagged 2	0.005	0.1848	0.1433
Echinococcus granulosus	protein jagged 1	0.005	0.1848	0.1433
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Schistosoma mansoni	septate junction protein	0.005	0.1848	0.1119
Schistosoma mansoni	laminin gamma-3 chain	0.005	0.1848	0.1119
Brugia malayi	EGF-like domain containing protein	0.005	0.1848	0.1433
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Brugia malayi	Calcium binding EGF domain containing protein	0.005	0.1848	0.1433
Loa Loa (eye worm)	Notch2	0.005	0.1848	0.1848
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0131	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.005	0.1848	0.1433
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848
Loa Loa (eye worm)	hypothetical protein	0.005	0.1848	0.1848

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 0.023 uM ml-1	Cytotoxicity against CEM (human lymphoblastic leukaemia) cells in vitro.	ChEMBL.	14584956
CC50 (functional)	= 0.023 uM ml-1	Cytotoxicity against CEM (human lymphoblastic leukaemia) cells in vitro.	ChEMBL.	14584956
EC50 (functional)	= 0.00017 uM ml-1	Antiviral activity against OKA strain of VZV in HEL (human erythroleukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	= 0.00024 uM ml-1	Antiviral activity against 07/1 strain of VZV in HEL (human erythroleukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	> 0.0027 uM ml-1	Antiviral activity of the compound against murine sarcoma virus	ChEMBL.	14584956
EC50 (functional)	= 0.0048 uM ml-1	Antiviral activity against KOS strain of HSV-1 in E6SM cells.	ChEMBL.	14584956
EC50 (functional)	= 0.0065 uM ml-1	Antiviral activity against vaccinia virus in HEL (human erythroleukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	> 0.014 uM ml-1	Antiviral activity against HIV-1 (IIIB) in CEM (human leukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	= 0.014 uM ml-1	Antiviral activity against HIV-2 (ROD) in CEM (human leukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	= 0.017 uM ml-1	Antiviral activity against G strain of HSV-2 in E6SM cells.	ChEMBL.	14584956
EC50 (functional)	= 0.12 uM ml-1	Antiviral activity against Davis strain of cytomegalovirus(CMV) in HEL (human erythroleukaemia) cells.	ChEMBL.	14584956
EC50 (functional)	= 0.13 uM ml-1	Antiviral activity against AD169 strain of cytomegalovirus(CMV) in HEL (human erythroleukaemia) cells.	ChEMBL.	14584956

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: CHEMBL346387
PubChem: 3011383

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 254646