TDR Targets

Basic information

Technical information

TDR Targets ID: 131273
Name: 2-amino-7-benzyl-1,5-dihydropyrrolo[3,2-d]pyr imidin-4-one
MW: 240.261 | Formula: C13H12N4O
H donors: 3 H acceptors: 1 LogP: 1.16 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
InChi: 1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)
InChiKey: ZBEJFMQAPZKPCM-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

2-azanyl-7-(phenylmethyl)-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
2-amino-7-(phenylmethyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
2-amino-7-(benzyl)-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	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 granulosus	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 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
Echinococcus granulosus	inosine guanosine and xanthosine 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
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
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
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
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	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
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
Echinococcus granulosus	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
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	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 multilocularis	purine nucleoside phosphorylase	Get druggable targets OG5_128114	All targets in OG5_128114
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

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0512	1
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0461	0.2885	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Treponema pallidum	pfs protein (pfs)	0.0096	0.0512	0.5
Schistosoma mansoni	hypothetical protein	0.0129	0.0726	0.2515
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0269	0.4455
Schistosoma mansoni	amine oxidase	0.011	0.0603	0.2091
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0512	0.8477
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.011	0.0603	0.0387
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0096	0.0512	0.1773
Schistosoma mansoni	uridine phosphorylase	0.0096	0.0512	0.1773
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0366	0.2265	0.7851
Mycobacterium tuberculosis	Possible oxidoreductase	0.011	0.0603	0.0105
Schistosoma mansoni	amine oxidase	0.011	0.0603	0.2091
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0096	0.0512	0.2258
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0096	0.0512	0.1773
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.8477
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.011	0.0603	0.2091
Mycobacterium ulcerans	oxidoreductase	0.011	0.0603	0.0097
Brugia malayi	uridine phosphorylase family protein	0.0096	0.0512	0.1773
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0461	0.2885	0.2502
Onchocerca volvulus		0.011	0.0603	0.2091
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0512	0.1773
Echinococcus multilocularis		0.011	0.0603	0.2091
Toxoplasma gondii	phosphorylase family protein	0.0096	0.0512	0.8477
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0096	0.0512	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Echinococcus granulosus	lysine specific histone demethylase 1A	0.011	0.0603	0.2091
Toxoplasma gondii	histone lysine-specific demethylase	0.011	0.0603	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0305	0.5049
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0512	0.8477
Plasmodium vivax	hypothetical protein, conserved	0.011	0.0603	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.011	0.0603	0.2091
Mycobacterium tuberculosis	Conserved hypothetical protein	0.011	0.0603	0.0105
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0512	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1558	1	1
Leishmania major	cathepsin L-like protease	0.0064	0.0305	0.5049
Plasmodium falciparum	purine nucleoside phosphorylase	0.0096	0.0512	0.8477
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0512	0.1773
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Echinococcus granulosus	uridine phosphorylase 1	0.0096	0.0512	0.1773
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0096	0.0512	0.8477
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Leishmania major	cathepsin L-like protease	0.0064	0.0305	0.5049
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0305	0.5049
Mycobacterium ulcerans	monoamine oxidase	0.011	0.0603	0.0097
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0512	0.1773
Trypanosoma brucei	RNA helicase, putative	0.0129	0.0726	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.011	0.0603	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.0512	0.1773
Toxoplasma gondii	phosphorylase family protein	0.0096	0.0512	0.8477
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0096	0.0512	0.1773
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0096	0.0512	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.011	0.0603	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0096	0.0512	0.8477
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0512	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.011	0.0603	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0096	0.0512	0.4914
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0461	0.2885	1
Loa Loa (eye worm)	uridine phosphorylase	0.0096	0.0512	0.2258
Entamoeba histolytica	hypothetical protein	0.0096	0.0512	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0461	0.2885	0.2705
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Loa Loa (eye worm)	hypothetical protein	0.0366	0.2265	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Leishmania major	UDP-galactopyranose mutase	0.011	0.0603	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0461	0.2885	1
Echinococcus multilocularis	protoporphyrinogen oxidase	0.011	0.0603	0.2091
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0096	0.0512	0.8477
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0512	1
Trypanosoma brucei	uridine phosphorylase	0.0096	0.0512	0.4914
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.011	0.0603	1
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.011	0.0603	0.2091
Trypanosoma cruzi	UDP-galactopyranose mutase	0.011	0.0603	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1448	0.9288	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0096	0.0512	0.8477
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.0305	0.5049
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0096	0.0512	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Plasmodium falciparum	protoporphyrinogen oxidase	0.011	0.0603	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0461	0.2885	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0461	0.2885	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.011	0.0603	1
Brugia malayi	MTAP	0.0096	0.0512	0.1773
Brugia malayi	hypothetical protein	0.011	0.0603	0.2091
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.011	0.0603	0.0097
Trypanosoma cruzi	UDP-galactopyranose mutase	0.011	0.0603	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.011	0.0603	0.2091
Schistosoma mansoni	uridine phosphorylase	0.0096	0.0512	0.1773
Treponema pallidum	uridine phosphorylase (udp)	0.0096	0.0512	0.5
Leishmania major	methylthioadenosine phosphorylase, putative	0.0096	0.0512	0.8477
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0366	0.2265	0.7851
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0461	0.2885	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0216	0.3584
Loa Loa (eye worm)	hypothetical protein	0.011	0.0603	0.2664
Echinococcus granulosus	purine nucleoside phosphorylase	0.0461	0.2885	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0461	0.2885	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0461	0.2885	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.011	0.0603	0.2091
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0096	0.0512	0.1773
Leishmania major	cathepsin L-like protease	0.0064	0.0305	0.5049
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0366	0.2265	0.7851
Plasmodium vivax	hypothetical protein, conserved	0.011	0.0603	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0305	0.5049
Mycobacterium ulcerans	dehydrogenase	0.011	0.0603	0.0097
Brugia malayi	SWIRM domain containing protein	0.011	0.0603	0.2091
Echinococcus multilocularis	uridine phosphorylase 1	0.0096	0.0512	0.1773
Leishmania major	nucleoside phosphorylase-like protein	0.0096	0.0512	0.8477
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.011	0.0603	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16.5 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 16.5 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 51 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 51 nM	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4	ChEMBL.	8254607
IC50 (binding)	= 51 nM	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)	ChEMBL.	8057293
IC50 (binding)	= 51 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 51 nM	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4	ChEMBL.	8254607
IC50 (binding)	= 51 nM	Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)	ChEMBL.	8057293
IC50 (binding)	= 210 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 210 nM	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4	ChEMBL.	8254607
IC50 (binding)	= 210 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 210 nM	Inhibition of Purine nucleoside Phosphorylase from calf spleen at 50 mM PO4	ChEMBL.	8254607
IC50 (binding)	= 0.06 uM	Inhibition of human purine nucleoside phosphorylase	ChEMBL.	20129792
Ki (binding)	= 3.6 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)	= 3.6 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)	= 11 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ki (binding)	= 11 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ratio (binding)	= 0.7	Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay	ChEMBL.	8057293
Ratio (binding)	= 1.5	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 3.06	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 4	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291
Ratio (binding)	= 4	Ratio between IC50 at 50 mM po4 to IC50 at 1 mM po4 was determined	ChEMBL.	8254607
Ratio (binding)	= 0.7	Ratio of IC50 values for guanine and related hypoxanthines in PNP inhibition assay	ChEMBL.	8057293
Ratio (binding)	= 1.5	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 3.06	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 4	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291
Ratio (binding)	= 4	Ratio between IC50 at 50 mM po4 to IC50 at 1 mM po4 was determined	ChEMBL.	8254607

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: CHEMBL310202
PubChem: 9881238

Bibliographic References

5 literature references were collected for this gene.

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Detailed information for compound 131273