TDR Targets

Basic information

Technical information

TDR Targets ID: 130420
Name: 2-amino-7-(pyridin-3-ylmethyl)-1,5-dihydropyr rolo[2,3-e]pyrimidin-4-one
MW: 241.249 | Formula: C12H11N5O
H donors: 3 H acceptors: 2 LogP: 0.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc2c(c[nH]c2c(=O)[nH]1)Cc1cccnc1
InChi: 1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
InChiKey: DOHVAKFYAHLCJP-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

Peldesine
2-amino-7-(pyridin-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
2-amino-7-(3-pyridylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
2-azanyl-7-(pyridin-3-ylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
2-amino-7-(3-pyridylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
133432-71-0
Peldesine [USAN]
D05396
Peldesine (USAN)
2-Amino-3,5-dihydro-7-(3-pyridylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one
4H-Pyrrolo(3,2-d)pyrimidin-4-one, 2-amino-3,5-dihydro-7-(3-pyridinylmethyl)-
9-(3-Pyridylmethyl)-7H-9-deazaguanine
BCX-34
DRG-0311

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Purine-nucleoside phosphorylase	Starlite/ChEMBL	References
Homo sapiens	purine nucleoside phosphorylase	Starlite/ChEMBL	References
Bos taurus	Purine nucleoside phosphorylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Schistosoma japonicum	Purine nucleoside phosphorylase, putative	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	Get druggable targets OG5_128114	All targets in OG5_128114
Schistosoma japonicum	ko:K03783 purine-nucleoside phosphorylase, putative	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	Get druggable targets OG5_128114	All targets in OG5_128114
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	Get druggable targets OG5_128114	All targets in OG5_128114
Candida albicans	similar to human purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Schistosoma mansoni	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Schistosoma mansoni	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus granulosus	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Candida albicans	similar to human purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
Echinococcus multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	purine nucleoside phosphorylase	289 aa	255 aa	23.1 %
Echinococcus multilocularis	methylthioadenosine phosphorylase	Purine-nucleoside phosphorylase	289 aa	234 aa	26.5 %
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	243 aa	24.3 %
Leishmania braziliensis	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	255 aa	23.5 %
Trypanosoma congolense	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	238 aa	27.3 %
Leishmania infantum	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	270 aa	22.6 %
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	243 aa	23.9 %
Leishmania major	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	258 aa	22.9 %
Trypanosoma brucei gambiense	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	276 aa	23.2 %
Leishmania donovani	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	270 aa	22.6 %
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	276 aa	23.2 %
Onchocerca volvulus		Purine-nucleoside phosphorylase	289 aa	275 aa	22.2 %
Leishmania mexicana	methylthioadenosine phosphorylase, putative	Purine-nucleoside phosphorylase	289 aa	259 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0117	0.1061	0.8997
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Brugia malayi	MTAP	0.0096	0.0832	0.1777
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0095	0.0735
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0832	0.176
Brugia malayi	Fli-1 protein	0.0262	0.2585	0.5523
Loa Loa (eye worm)	cysteine protease	0.0034	0.0181	0.0325
Treponema pallidum	pfs protein (pfs)	0.0096	0.0832	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0095	0.1045
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0366	0.3675	0.3669
Onchocerca volvulus		0.0034	0.0181	0.0254
Onchocerca volvulus		0.0034	0.0181	0.0254
Plasmodium vivax	vivapain-2	0.0034	0.0181	0.2093
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0073	0.0136
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.013	0.1034
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0461	0.468	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.013	0.0121
Brugia malayi	hypothetical protein	0.0026	0.0095	0.0204
Mycobacterium leprae	probable uridine phosphorylase	0.0096	0.0832	0.1738
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0461	0.468	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0034	0.0181	0.0172
Schistosoma mansoni	importin beta-1	0.0029	0.013	0.0259
Echinococcus multilocularis	GA binding protein alpha chain	0.0086	0.0735	0.0726
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0009	0.002
Chlamydia trachomatis	AMP nucleosidase	0.0096	0.0832	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.0181	0.0254
Schistosoma mansoni	ferritin	0.0019	0.0022	0.0027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.0181	0.0368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Leishmania major	cathepsin L-like protease	0.0034	0.0181	0.0982
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	0.3068	0.8319
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0096	0.0832	1
Leishmania major	nucleoside phosphorylase-like protein	0.0096	0.0832	0.6862
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0832	0.7032
Loa Loa (eye worm)	hypothetical protein	0.005	0.0351	0.0796
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0474	0.0465
Echinococcus granulosus	cathepsin l1	0.0023	0.0064	0.0117
Schistosoma mansoni	apoferritin-2	0.0019	0.0022	0.0027
Entamoeba histolytica	hypothetical protein	0.0096	0.0832	1
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0096	0.0832	0.176
Mycobacterium tuberculosis	Hypothetical protein	0.0096	0.0832	0.1738
Onchocerca volvulus	Huntingtin homolog	0.0146	0.1364	0.2815
Leishmania major	cathepsin L-like protease	0.0034	0.0181	0.0982
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0101	0.0889	0.7525
Toxoplasma gondii	cathepsin CPL	0.0034	0.0181	0.1169
Schistosoma mansoni	gabp alpha	0.0086	0.0735	0.1554
Echinococcus multilocularis	cysteine protease	0.0034	0.0181	0.0172
Onchocerca volvulus		0.0034	0.0181	0.0254
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0461	0.468	1
Schistosoma mansoni	hypothetical protein	0.0308	0.3068	0.6549
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0351	0.0751
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0034	0.0181	0.0172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0867	0.1837
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0034	0.0181	0.0368
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0351	0.0796
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Brugia malayi	uridine phosphorylase family protein	0.0096	0.0832	0.1777
Leishmania major	cathepsin L-like protease	0.0129	0.1179	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.0181	0.1472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0096	0.0832	0.2125
Loa Loa (eye worm)	fibroinase	0.0034	0.0181	0.0325
Echinococcus granulosus	ferritin	0.0019	0.0022	0.0027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Onchocerca volvulus		0.0034	0.0181	0.0254
Onchocerca volvulus	Cathepsin F homolog	0.0034	0.0181	0.0254
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0832	0.176
Plasmodium falciparum	purine nucleoside phosphorylase	0.0096	0.0832	1
Echinococcus multilocularis	snurportin 1	0.0308	0.3068	0.3062
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0867	0.0859
Brugia malayi	cathepsin L-like precursor	0.0023	0.0064	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0867	0.1837
Schistosoma mansoni	ferritin	0.0019	0.0022	0.0027
Leishmania major	methylthioadenosine phosphorylase, putative	0.0096	0.0832	0.6862
Schistosoma mansoni	ferritin light chain	0.0019	0.0022	0.0027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0867	0.1837
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Echinococcus multilocularis	cathepsin L cysteine protease	0.0034	0.0181	0.0172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0261	0.2573	0.6948
Schistosoma mansoni	ets-related	0.0262	0.2585	0.5514
Toxoplasma gondii	phosphorylase family protein	0.0096	0.0832	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0095	0.1045
Brugia malayi	hypothetical protein	0.0146	0.1364	0.2914
Trichomonas vaginalis	ferritin, putative	0.0019	0.0022	0.0027
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0096	0.0832	0.7032
Echinococcus granulosus	snurportin 1	0.0308	0.3068	0.6549
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.0181	0.0368
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0832	0.176
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Brugia malayi	Muscleblind-like protein	0.0178	0.1701	0.3634
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0064	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0095	0.0086
Loa Loa (eye worm)	uridine phosphorylase	0.0096	0.0832	0.2125
Leishmania major	cysteine peptidase A (CPA)	0.0034	0.0181	0.0982
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0095	0.0735
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0096	0.0832	0.1738
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0474	0.0995
Echinococcus granulosus	survival motor neuron protein 1	0.0261	0.2573	0.5489
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0181	0.2093
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0096	0.0832	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1701	0.4532
Echinococcus granulosus	importin subunit beta 1	0.0029	0.013	0.0259
Brugia malayi	Ets-domain containing protein	0.0086	0.0735	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0185	0.0336
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0095	0.0204
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0185	0.0396
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0019	0.0022	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0867	0.1837
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0474	0.097
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0034	0.0181	0.0325
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0832	0.176
Schistosoma mansoni	ferritin	0.0019	0.0022	0.0027
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Brugia malayi	Ets-domain containing protein	0.0086	0.0735	0.1571
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Onchocerca volvulus		0.0034	0.0181	0.0254
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0474	0.097
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0181	0.0325
Echinococcus multilocularis	ferritin	0.0019	0.0022	0.0013
Onchocerca volvulus	Huntingtin homolog	0.0146	0.1364	0.2815
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0474	0.0995
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0461	0.468	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0064	0.0137
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0867	0.0859
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.0181	0.0254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0387	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0029	0.013	0.0183
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0096	0.0832	0.1738
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0073	0.0136
Schistosoma mansoni	hypothetical protein	0.017	0.1611	0.3429
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0181	0.0368
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1364	0.3599
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0366	0.3675	0.3669
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0064	0.0117
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0086	0.0735	0.1858
Plasmodium vivax	importin-beta 2, putative	0.0029	0.013	0.147
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0832	0.7032
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0474	0.5143
Echinococcus multilocularis	cysteine protease	0.0034	0.0181	0.0172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0009	0.002
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Leishmania major	cathepsin L-like protease	0.0129	0.1179	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0096	0.0832	0.1738
Brugia malayi	hypothetical protein	0.0261	0.2573	0.5498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma brucei	uridine phosphorylase	0.0096	0.0832	0.7032
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0096	0.0832	1
Schistosoma mansoni	uridine phosphorylase	0.0096	0.0832	0.176
Echinococcus granulosus	geminin	0.017	0.1611	0.3429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Entamoeba histolytica	hypothetical protein	0.0023	0.0073	0.0771
Onchocerca volvulus		0.0053	0.0387	0.0699
Echinococcus multilocularis	muscleblind protein 1	0.0178	0.1701	0.1693
Onchocerca volvulus		0.0034	0.0181	0.0254
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Loa Loa (eye worm)	fli-1 protein	0.0262	0.2585	0.6981
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0034	0.0181	0.2093
Loa Loa (eye worm)	ctsf protein	0.0034	0.0181	0.0325
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0064	0.0117
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0064	0.0137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0095	0.0735
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0181	0.2093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Plasmodium falciparum	importin beta, putative	0.0029	0.013	0.147
Echinococcus multilocularis	uridine phosphorylase 1	0.0096	0.0832	0.0823
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0474	0.0995
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Leishmania major	cathepsin L-like protease	0.0034	0.0181	0.0982
Loa Loa (eye worm)	hypothetical protein	0.0366	0.3675	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.1179	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0387	0.0826
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.013	0.0474
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.1179	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0461	0.468	1
Echinococcus granulosus	expressed protein	0.0019	0.0022	0.0027
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Schistosoma mansoni	apoferritin-2	0.0019	0.0022	0.0027
Echinococcus granulosus	muscleblind protein	0.0178	0.1701	0.3621
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0096	0.0832	0.7032
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0474	0.097
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0064	0.0666
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0181	0.0368
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0181	0.0388
Schistosoma mansoni	purine nucleoside phosphorylase	0.0461	0.468	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0351	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1701	0.4532
Leishmania major	cathepsin L-like protease	0.0034	0.0181	0.0982
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0603	0.1493
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0034	0.0181	0.2093
Echinococcus multilocularis	expressed protein	0.0019	0.0022	0.0013
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0034	0.0181	0.2093
Echinococcus multilocularis	cathepsin L cysteine protease	0.0034	0.0181	0.0172
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0474	0.3628
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0387	0.0808
Echinococcus granulosus	uridine phosphorylase 1	0.0096	0.0832	0.176
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0461	0.468	1
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0461	0.468	1
Echinococcus multilocularis	geminin	0.017	0.1611	0.1603
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0073	0.0136
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0023	0.0064	0.0137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.013	0.1034
Echinococcus multilocularis	muscleblind protein	0.0178	0.1701	0.1693
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0034	0.0181	0.0368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0832	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0867	0.1853
Leishmania major	cathepsin L-like protease	0.0129	0.1179	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0034	0.0181	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1364	0.3599
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0867	0.1837
Schistosoma mansoni	ferritin	0.0019	0.0022	0.0027
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0832	0.7032
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0832	0.176
Schistosoma mansoni	ferritin light chain	0.0019	0.0022	0.0027
Brugia malayi	Importin beta-1 subunit	0.0029	0.013	0.0278
Treponema pallidum	uridine phosphorylase (udp)	0.0096	0.0832	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Echinococcus granulosus	cathepsin l1	0.0034	0.0181	0.0368
Echinococcus granulosus	GA binding protein alpha chain	0.0086	0.0735	0.1554
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0181	0.0388
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0832	0.176
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0096	0.0832	0.1738
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0867	0.2225
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Onchocerca volvulus		0.0034	0.0181	0.0254
Schistosoma mansoni	hypothetical protein	0.0034	0.0185	0.0377
Brugia malayi	RNA, U transporter 1	0.0082	0.069	0.1474
Schistosoma mansoni	hypothetical protein	0.017	0.1611	0.3429
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.1179	1
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0181	0.2093
Schistosoma mansoni	uridine phosphorylase	0.0096	0.0832	0.176
Plasmodium vivax	vivapain-2	0.0034	0.0181	0.2093
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.1179	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.468	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0129	0.1179	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0261	0.2573	0.2566
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0461	0.468	1
Leishmania major	cathepsin L-like protease	0.0034	0.0181	0.0982
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0096	0.0832	0.7032
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0096	0.0832	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.468	0.4675
Toxoplasma gondii	phosphorylase family protein	0.0096	0.0832	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0474	0.097
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0073	0.0542
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0095	0.1045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0181	0.0368
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0366	0.3675	0.7848
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0181	0.0368

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 25 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 25 nM	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)	ChEMBL.	8057293
IC50 (binding)	= 25 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 25 nM	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)	ChEMBL.	8057293
IC50 (binding)	= 27 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 27 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 190 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 190 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 0.2 uM	Inhibition of human purine nucleoside phosphorylase	ChEMBL.	20129792
Ki (binding)	= 3.1 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as substrate.	ChEMBL.	10395483
Ki (binding)	= 3.1 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as substrate.	ChEMBL.	10395483
Ki (binding)	= 13.5 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ki (binding)	= 13.5 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ratio (binding)	= 1.1	Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay	ChEMBL.	8057293
Ratio (binding)	= 1.63	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 4.35	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 8	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291
Ratio (binding)	= 1.1	Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay	ChEMBL.	8057293
Ratio (binding)	= 1.63	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 4.35	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 8	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291

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
ChEMBL: CHEMBL311300
DrugBank: DB02568
PubChem: 60817

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 130420