TDR Targets

Basic information

Technical information

TDR Targets ID: 46693
Name: 2,8-diamino-9-(thiophen-2-ylmethyl)-3H-purin- 6-one
MW: 262.291 | Formula: C10H10N6OS
H donors: 3 H acceptors: 4 LogP: 0.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(O)c2c(n1)n(Cc1cccs1)c(n2)N
InChi: 1S/C10H10N6OS/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
InChiKey: HANOSGYMKMNFON-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

2,8-diamino-9-(2-thienylmethyl)-3H-purin-6-one
2,8-bis(azanyl)-9-(thiophen-2-ylmethyl)-3H-purin-6-one
2,8-diamino-9-(2-thenyl)-3H-purin-6-one
8-amino-9-(2-thienylmethyl)guanine
104162-90-5
PD-119,229
6H-Purin-6-one, 2,8-diamino-1,9-dihydro-9-(2-thienylmethyl)-
PD 119229

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	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
Schistosoma mansoni	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 tuberculosis	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 multilocularis	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
Echinococcus granulosus	purine nucleoside phosphorylase	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
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	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
Candida albicans	similar to human 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
Schistosoma japonicum	Purine nucleoside phosphorylase, putative	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
Mycobacterium ulcerans	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 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
Echinococcus granulosus	inosine guanosine and xanthosine 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
Schistosoma mansoni	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 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
Echinococcus multilocularis	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma congolense	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	257 aa	27.2 %
Onchocerca volvulus		Purine nucleoside phosphorylase	289 aa	267 aa	20.6 %
Leishmania braziliensis	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	255 aa	23.5 %
Leishmania infantum	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	259 aa	22.8 %
Leishmania donovani	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	259 aa	22.8 %
Leishmania mexicana	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	268 aa	24.3 %
Leishmania major	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	260 aa	23.5 %
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	277 aa	24.5 %
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	purine nucleoside phosphorylase	289 aa	255 aa	23.1 %
Trypanosoma brucei gambiense	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	277 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Onchocerca volvulus	Cathepsin L homolog	0.0072	0.1297	0.0923
Loa Loa (eye worm)	ctsf protein	0.0072	0.1297	0.1274
Onchocerca volvulus		0.0072	0.1297	0.0923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus granulosus	cathepsin l1	0.0072	0.1297	0.1297
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0064	0.0978	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Leishmania major	cathepsin L-like protease	0.0072	0.1297	0.0407
Onchocerca volvulus	Cathepsin L homolog	0.0072	0.1297	0.0923
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0072	0.1297	0.1297
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0308	1	1
Onchocerca volvulus		0.0072	0.1297	0.0923
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0244	0.7644	0.7644
Loa Loa (eye worm)	uridine phosphorylase	0.0064	0.0978	0.0835
Echinococcus multilocularis	cathepsin L cysteine protease	0.0072	0.1297	0.1297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0413	0.0413
Leishmania major	cathepsin L-like protease	0.0072	0.1297	0.0407
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Brugia malayi	MTAP	0.0064	0.0978	0.0978
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0064	0.0978	0.1109
Plasmodium falciparum	plasmepsin II	0.0047	0.0371	0.2859
Brugia malayi	uridine phosphorylase family protein	0.0064	0.0978	0.0978
Onchocerca volvulus		0.0072	0.1297	0.0923
Schistosoma mansoni	uridine phosphorylase	0.0064	0.0978	0.0978
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0244	0.7644	0.7644
Plasmodium vivax	plasmepsin IV, putative	0.0047	0.0371	0.2859
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Toxoplasma gondii	cathepsin CPL	0.0072	0.1297	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Trypanosoma brucei	uridine phosphorylase	0.0064	0.0978	0.1109
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Brugia malayi	cathepsin L-like precursor	0.0048	0.0413	0.0413
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0072	0.1297	0.1297
Onchocerca volvulus		0.0072	0.1297	0.0923
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0072	0.1297	0.1274
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0072	0.1297	0.1274
Leishmania major	cathepsin L-like protease	0.0276	0.8815	1
Plasmodium falciparum	plasmepsin VI	0.0047	0.0371	0.2859
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0978	0.0978
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0413	0.0413
Plasmodium falciparum	plasmepsin IV	0.0047	0.0371	0.2859
Entamoeba histolytica	hypothetical protein	0.0064	0.0978	0.7539
Treponema pallidum	uridine phosphorylase (udp)	0.0064	0.0978	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0064	0.0978	0.1109
Onchocerca volvulus	Cathepsin F homolog	0.0072	0.1297	0.0923
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0276	0.8815	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Onchocerca volvulus		0.0072	0.1297	0.0923
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0047	0.0371	0.0371
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0308	1	1
Onchocerca volvulus		0.0072	0.1297	0.0923
Leishmania major	cathepsin L-like protease	0.0276	0.8815	1
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0064	0.0978	0.7539
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1297	0.1274
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0072	0.1297	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0064	0.0978	0.0978
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0047	0.0371	0.0371
Schistosoma mansoni	cathepsin D (A01 family)	0.0139	0.3779	0.3779
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Schistosoma mansoni	cathepsin F (C01 family)	0.0072	0.1297	0.1297
Leishmania major	cathepsin L-like protease	0.0072	0.1297	0.0407
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0064	0.0978	0.0978
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.0413	0.3182
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0308	1	1
Echinococcus multilocularis	uridine phosphorylase 1	0.0064	0.0978	0.0978
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0072	0.1297	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0064	0.0978	0.1109
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0047	0.0371	0.0371
Leishmania major	cathepsin L-like protease	0.0072	0.1297	0.0407
Schistosoma mansoni	purine nucleoside phosphorylase	0.0308	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0413	0.0413
Chlamydia trachomatis	AMP nucleosidase	0.0064	0.0978	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus multilocularis	cathepsin L cysteine protease	0.0072	0.1297	0.1297
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0064	0.0978	0.1109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0072	0.1297	0.1297
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0064	0.0978	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0413	0.0058
Leishmania major	cathepsin L-like protease	0.0072	0.1297	0.0407
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0413	0.0413
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Toxoplasma gondii	phosphorylase family protein	0.0064	0.0978	0.6553
Leishmania major	cathepsin L-like protease	0.0276	0.8815	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Entamoeba histolytica	cysteine proteinase, putative	0.0072	0.1297	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.7539
Entamoeba histolytica	cysteine protease, putative	0.0072	0.1297	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0064	0.0978	0.0978
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0308	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0276	0.8815	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0064	0.0978	0.6553
Trypanosoma cruzi	cruzipain precursor, putative	0.0276	0.8815	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0072	0.1297	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0072	0.1297	0.1297
Treponema pallidum	pfs protein (pfs)	0.0064	0.0978	0.5
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Entamoeba histolytica	cysteine proteinase, putative	0.0072	0.1297	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0252	0.7931	0.8997
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Schistosoma mansoni	cathepsin D (A01 family)	0.0139	0.3779	0.3779
Schistosoma mansoni	purine nucleoside phosphorylase	0.0308	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Brugia malayi	Cathepsin L-like precursor	0.0072	0.1297	0.1297
Onchocerca volvulus		0.0072	0.1297	0.0923
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0064	0.0978	0.1109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0072	0.1297	0.1297
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0308	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0276	0.8815	1
Loa Loa (eye worm)	cysteine protease	0.0072	0.1297	0.1274
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0064	0.0978	0.0978
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Echinococcus granulosus	uridine phosphorylase 1	0.0064	0.0978	0.0978
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0308	1	1
Echinococcus multilocularis	cysteine protease	0.0072	0.1297	0.1297
Trichomonas vaginalis	conserved hypothetical protein	0.0064	0.0978	0.0978
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Leishmania major	cysteine peptidase A (CPA)	0.0072	0.1297	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0413	0.0058
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Plasmodium vivax	vivapain-2	0.0072	0.1297	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Plasmodium vivax	vivapain-2	0.0072	0.1297	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Plasmodium vivax	aspartyl proteinase, putative	0.0047	0.0371	0.2859
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0048	0.0413	0.0413
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Echinococcus granulosus	cathepsin l1	0.0048	0.0413	0.0413
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0047	0.0371	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0244	0.7644	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Loa Loa (eye worm)	fibroinase	0.0072	0.1297	0.1274
Plasmodium falciparum	purine nucleoside phosphorylase	0.0064	0.0978	0.7539
Schistosoma mansoni	uridine phosphorylase	0.0064	0.0978	0.0978
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0072	0.1297	0.1297
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0064	0.0978	0.0978
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0064	0.0978	0.0835
Toxoplasma gondii	phosphorylase family protein	0.0064	0.0978	0.6553
Trypanosoma cruzi	major cysteine proteinase, putative	0.0217	0.6633	0.7525
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0064	0.0978	0.0978
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.1297	0.1472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Plasmodium falciparum	plasmepsin I	0.0047	0.0371	0.2859
Brugia malayi	Papain family cysteine protease containing protein	0.0072	0.1297	0.1297
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.0413	0.0413
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0072	0.1297	0.1297
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	1	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0244	0.7644	0.7644
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	1	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0413	0.0058
Echinococcus multilocularis	cysteine protease	0.0072	0.1297	0.1297
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0276	0.8815	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 69.4 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 69.4 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
IC50 (binding)	= 160 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 160 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 160 nM	Inhibition of purine nucleoside phosphorylase against the enzyme from calf spleen in 1 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 160 nM	Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate	ChEMBL.	8421291
IC50 (binding)	= 0.17 uM	Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay	ChEMBL.	1573639
IC50 (binding)	= 0.17 uM	Inhibitory activity against Purine nucleoside phosphorylase evaluated by radiochemical assay	ChEMBL.	1573639
IC50 (functional)	= 0.82 uM	Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4 and MGL-8) evaluated by measuring inhibition of thymidine intake in presence of 10 microM deoxyguanosine	ChEMBL.	1573639
IC50 (functional)	= 0.82 uM	Cytotoxic effect on the growth of human T-and B-lymphoblastoid cell lines(MOLT-4 and MGL-8) evaluated by measuring inhibition of thymidine intake in presence of 10 microM deoxyguanosine	ChEMBL.	1573639
Inhibition (functional)	= 0 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 24 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 0 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 24 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 7 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 6 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 7 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 6 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 26 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 3 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 26 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 3 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 38 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 1 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 38 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 1 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 75.5 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 0 hours at 0.4 uM concentration	ChEMBL.	1578487
Inhibition (functional)	= 75.5 %	Compound was evaluated for the inhibitory activity against purine nucleoside phosphorylase (PNP) as a function of time of dialysis after 0 hours at 0.4 uM concentration	ChEMBL.	1578487
Ki (binding)	= 20.7 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)	= 20.7 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)	= 35.7 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ki (binding)	= 35.7 nM	Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.	ChEMBL.	10395483
Ki (binding)	= 67 nM	Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylase	ChEMBL.	No reference
Ki (binding)	= 67 nM	Tested for its inhibitory activity against human erythrocytic purine nucleoside phosphorylase	ChEMBL.	No reference
Ki (binding)	= 0.067 uM	Ability of the compound to inhibit purine nucleoside phosphorylase (PNP)	ChEMBL.	1578487
Ki (binding)	= 0.067 uM	Ability of the compound to inhibit purine nucleoside phosphorylase (PNP)	ChEMBL.	1578487
Ratio (binding)	= 1	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291
Ratio (binding)	= 1.73	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 1.95	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 1	Selectivity ratio of the compound is evaluated as (IC50(50 mM PO4) / IC50(1 mM PO4)	ChEMBL.	8421291
Ratio (binding)	= 1.73	Ratio of Ki ino and Kimesg against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483
Ratio (binding)	= 1.95	Ratio of IC50 ino and Ki ino against purine nucleoside phosphorylase (PNP)	ChEMBL.	10395483

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	1573639

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.

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External resources for this compound

Search by CAS
ChEMBL: CHEMBL285627
PubChem: 147062

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 46693