TDR Targets

Basic information

Technical information

TDR Targets ID: 543824
Name: [(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-t etrahydrofuran-2-yl]methoxy-N-[(E)-dec-4-enyl ]phosphonamidic acid
MW: 468.487 | Formula: C20H33N6O5P
H donors: 4 H acceptors: 6 LogP: 1.43 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC/C=C/CCCNP(=O)(OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O
InChi: 1S/C20H33N6O5P/c1-2-3-4-5-6-7-8-9-10-25-32(28,29)30-12-15-11-16(27)20(31-15)26-14-24-17-18(21)22-13-23-19(17)26/h6-7,13-16,20,27H,2-5,8-12H2,1H3,(H2,21,22,23)(H2,25,28,29)/b7-6+/t15-,16+,20+/m0/s1
InChiKey: INLBMHMVQFOIIQ-ONXRFNQYSA-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

[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-tetrahydrofuranyl]methoxy-N-[(E)-dec-4-enyl]phosphonamidic acid
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxy-N-[(E)-dec-4-enyl]phosphonamidic acid
[(2S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-2-yl]methoxy-N-[(E)-dec-4-enyl]phosphonamidic acid
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-N-[(E)-dec-4-enyl]phosphonamidic acid
adenosine 3',5'-cyclic decylphosphoramidate
[(2S,4R,5R)-5-(6-amino-9-purinyl)-4-hydroxy-2-tetrahydrofuranyl]methoxy-N-[(E)-dec-4-enyl]phosphonamidic acid
140686-45-9
ACDPA
Adenosine, cyclic 3',5'-(decylphosphoramidate)

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
Echinococcus granulosus	snurportin 1	0.0316	0.8764	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0442	1
Toxoplasma gondii	ABC1 family protein	0.0037	0.0384	0.7896
Brugia malayi	Bromodomain containing protein	0.0041	0.0518	0.0437
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0235	0.6329	0.6267
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0384	0.0429
Echinococcus granulosus	expressed conserved protein	0.0096	0.216	0.2458
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0596	0.0671
Schistosoma mansoni	hypothetical protein	0.0042	0.0548	0.0616
Schistosoma mansoni	hypothetical protein	0.0042	0.0548	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0041	0.052	0.0358
Brugia malayi	beta-lactamase	0.0037	0.0384	0.0302
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0168	0.0182
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0235	0.6329	0.7219
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.121	0.1372
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0384	0.0396
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.028	0.7686	1
Echinococcus multilocularis	geminin	0.0179	0.467	0.5324
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0442	0.0079
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.121	0.1372
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2346	0.2215
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Loa Loa (eye worm)	hypothetical protein	0.0357	1	1
Schistosoma mansoni	patched 1	0.0044	0.0596	0.0671
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.3662	0.4173
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0235	0.6336	0.8151
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0441	0.0494
Brugia malayi	RNA, U transporter 1	0.0084	0.1806	0.1736
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0235	0.6329	0.7219
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0596	0.0671
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0442	0.0455
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0442	0.0364
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0102	0.2346	1
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0384	0.0287
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0384	0.0429
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0442	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Brugia malayi	hypothetical protein	0.0126	0.3075	0.3016
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0441	0.0494
Brugia malayi	Bromodomain containing protein	0.0081	0.1704	0.1633
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0442	0.0455
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0596	0.0614
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0384	0.022
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3075	0.2957
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0442	0.0495
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0442	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0384	0.0302
Echinococcus granulosus	geminin	0.0179	0.467	0.5324
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0235	0.6329	0.7219
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0384	0.7896
Treponema pallidum	hypothetical protein	0.028	0.7686	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0384	0.0429
Schistosoma mansoni	ap endonuclease	0.0039	0.0442	0.0495
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0442	0.1883
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0384	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0596	0.0435
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0104	0.2394	0.2724
Echinococcus multilocularis	snurportin 1	0.0316	0.8764	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0548	0.0616
Trichomonas vaginalis	conserved hypothetical protein	0.0347	0.9707	1
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.028	0.7686	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0597	0.0436
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0442	0.0278
Brugia malayi	Importin beta-1 subunit	0.003	0.0168	0.0084
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.028	0.7686	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.6329	0.7219
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0384	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0658	0.0499
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Schistosoma mansoni	importin beta-1	0.003	0.0168	0.0182
Onchocerca volvulus	Huntingtin homolog	0.0126	0.3075	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.6329	0.7219
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0442	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0316	0.8764	0.8743
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.2346	0.2281
Schistosoma mansoni	bromodomain containing protein	0.0068	0.1325	0.1504
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0384	0.8696
Schistosoma mansoni	hypothetical protein	0.0042	0.0548	0.0616
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.2346	0.267
Trichomonas vaginalis	esterase, putative	0.0037	0.0384	0.0396
Toxoplasma gondii	exonuclease III APE	0.0039	0.0442	1
Onchocerca volvulus	Huntingtin homolog	0.0126	0.3075	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0442	1
Brugia malayi	CHE-14 protein	0.0044	0.0596	0.0515
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0384	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1566	0.1422
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0442	0.036
Brugia malayi	beta-lactamase family protein	0.0037	0.0384	0.0302
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.2346	0.267
Schistosoma mansoni	hypothetical protein	0.0179	0.467	0.5324
Schistosoma mansoni	hypothetical protein	0.0316	0.8764	1
Echinococcus multilocularis	expressed conserved protein	0.0096	0.216	0.2458
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0235	0.6329	0.7219
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0384	0.0302
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0442	0.0364
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0442	0.0079
Echinococcus multilocularis	protein dispatched 1	0.005	0.0782	0.0883
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.3662	0.4173
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.028	0.7686	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0384	0.8696
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0384	0.0396
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0442	0.0495
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0235	0.6329	0.7219
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.028	0.7686	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0384	0.022
Schistosoma mansoni	hypothetical protein	0.0179	0.467	0.5324
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0384	0.022
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0235	0.6329	0.6298
Echinococcus multilocularis	protein patched	0.0044	0.0596	0.0671
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0596	0.0671
Leishmania major	hypothetical protein, conserved	0.0037	0.0384	0.8696
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0384	0.0396
Schistosoma mansoni	ap endonuclease	0.0039	0.0442	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0126	0.3075	0.2957
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0892	0.0736
Echinococcus granulosus	importin subunit beta 1	0.003	0.0168	0.0182
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0442	0.5
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0596	0.0435

Activities

No activities found for this compound.

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

Search by CAS
PubChem: 6449870

Bibliographic References

No literature references available for this target.

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Detailed information for compound 543824