TDR Targets

Basic information

Technical information

TDR Targets ID: 1698525
Name: 3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymeth yl)pyrrolidin-2-yl]-2,4-dihydropyrazolo[3,4-e ]pyrimidin-7-one
MW: 267.241 | Formula: C10H13N5O4
H donors: 6 H acceptors: 7 LogP: -2.19 Rotable bonds: 2
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1n[nH]c2c1ncnc2O
InChi: 1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
InChiKey: UMACXNRGXRACLJ-PRMBHOGLSA-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

3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-2,4-dihydropyrazolo[3,4-e]pyrimidin-7-one
3-[(2S,3S,4R,5R)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-2,4-dihydropyrazolo[3,4-e]pyrimidin-7-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Candida albicans	similar to human 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 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
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
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
Schistosoma japonicum	Purine nucleoside phosphorylase, putative	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
Mycobacterium ulcerans	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
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
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
Schistosoma japonicum	ko:K03783 purine-nucleoside phosphorylase, putative	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 granulosus	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 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
Candida albicans	similar to human 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	inosine guanosine and xanthosine 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
Leishmania infantum	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	259 aa	22.8 %
Trypanosoma brucei gambiense	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	277 aa	24.5 %
Trypanosoma congolense	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	257 aa	27.2 %
Leishmania mexicana	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	268 aa	24.3 %
Leishmania braziliensis	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	255 aa	23.5 %
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	purine nucleoside phosphorylase	289 aa	255 aa	23.1 %
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	277 aa	24.5 %
Leishmania major	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	260 aa	23.5 %
Onchocerca volvulus		Purine nucleoside phosphorylase	289 aa	267 aa	20.6 %
Leishmania donovani	methylthioadenosine phosphorylase, putative	Purine nucleoside phosphorylase	289 aa	259 aa	22.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Onchocerca volvulus		0.0376	0.0979	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0468	0.0468
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0261	0.0533	0.0379
Toxoplasma gondii	hypothetical protein	0.0459	0.1302	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0209	0.0333	0.0333
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0261	0.0533	0.0562
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0209	0.0333	0.0333
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0415	0.113	1
Onchocerca volvulus		0.0459	0.1302	0.116
Onchocerca volvulus		0.0376	0.0979	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0164	0.016	0.016
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	0.1302
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0261	0.0533	0.2067
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0539	0.0539
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0459	0.1302	0.1283
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0459	0.1302	0.1302
Plasmodium vivax	hypothetical protein, conserved	0.0459	0.1302	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Trypanosoma cruzi	cruzipain precursor, putative	0.0376	0.0979	0.1814
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Schistosoma mansoni	sodium/chloride dependent transporter	0.0459	0.1302	0.1302
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Onchocerca volvulus		0.0459	0.1302	0.116
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0539	0.0539
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0262	0.0539	0.0577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Entamoeba histolytica	cysteine proteinase, putative	0.0376	0.0979	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	0.1302
Onchocerca volvulus		0.0376	0.0979	0.0832
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0308	0.0715	0.0563
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0308	0.0715	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0376	0.0979	0.6665
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0164	0.016	0.016
Trypanosoma cruzi	cysteine peptidase, putative	0.0376	0.0979	0.1814
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0376	0.0979	0.0979
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0261	0.0533	0.2513
Plasmodium vivax	amine transporter, putative	0.0459	0.1302	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1128	0.3892	0.3892
Schistosoma mansoni	purine nucleoside phosphorylase	0.0308	0.0715	0.0715
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0261	0.0533	0.0513
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0261	0.0533	0.0533
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0308	0.0715	0.5
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0261	0.0533	0.0513
Onchocerca volvulus		0.0376	0.0979	0.0832
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0376	0.0979	0.8104
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0261	0.0533	0.3101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Plasmodium falciparum	amino acid transporter, putative	0.0459	0.1302	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0459	0.1302	0.1302
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0459	0.1302	0.1302
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	1
Onchocerca volvulus		0.0376	0.0979	0.0832
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	0.1302
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Toxoplasma gondii	hypothetical protein	0.0459	0.1302	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1128	0.3892	0.3892
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0465	0.1324	0.1324
Onchocerca volvulus		0.2705	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0262	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0261	0.0533	0.0533
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0261	0.0533	0.0513
Toxoplasma gondii	cathepsin B	0.0415	0.113	0.7762
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.2705	1	1
Giardia lamblia	Cathepsin B precursor	0.0415	0.113	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0376	0.0979	0.1814
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0308	0.0715	0.4788
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Brugia malayi	Cathepsin L-like precursor	0.0262	0.0539	0.0539
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Echinococcus granulosus	cysteine protease	0.0209	0.0333	0.0312
Loa Loa (eye worm)	hypothetical protein	0.1128	0.3892	0.3892
Echinococcus multilocularis	cathepsin b	0.1128	0.3892	0.3879
Brugia malayi	Papain family cysteine protease containing protein	0.0209	0.0333	0.0333
Entamoeba histolytica	cysteine protease, putative	0.0376	0.0979	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Loa Loa (eye worm)	hypothetical protein	0.0465	0.1324	0.1324
Plasmodium vivax	vivapain-2	0.0376	0.0979	0.6665
Onchocerca volvulus	Cathepsin F homolog	0.0376	0.0979	0.0832
Echinococcus multilocularis	cathepsin L cysteine protease	0.0376	0.0979	0.0959
Schistosoma mansoni	sodium/chloride dependent transporter	0.0459	0.1302	0.1302
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0308	0.0715	0.0715
Loa Loa (eye worm)	ctsf protein	0.0376	0.0979	0.0979
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Loa Loa (eye worm)	solute carrier family 6 member 4	0.2705	1	1
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Schistosoma mansoni	sodium/chloride dependent transporter	0.2705	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Echinococcus granulosus	cathepsin b	0.1128	0.3892	0.3879
Plasmodium vivax	vivapain-2	0.0376	0.0979	0.6665
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0376	0.0979	0.0979
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0459	0.1302	0.1283
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Onchocerca volvulus	Cathepsin L homolog	0.0376	0.0979	0.0832
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0459	0.1302	0.1283
Entamoeba histolytica	cysteine proteinase, putative	0.0262	0.0539	0.3182
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Trypanosoma cruzi	cysteine peptidase, putative	0.0376	0.0979	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0261	0.0533	0.2513
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0129	0.0022	0.0022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Giardia lamblia	Cathepsin B precursor	0.0415	0.113	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	0.1302
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0376	0.0979	0.0959
Giardia lamblia	Cathepsin B precursor	0.0415	0.113	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.0539	0.2579
Echinococcus granulosus	cathepsin b	0.1128	0.3892	0.3879
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0308	0.0715	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0376	0.0979	0.0979
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0308	0.0715	0.3038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Treponema pallidum	sodium- and chloride- dependent transporter	0.2705	1	1
Loa Loa (eye worm)	hypothetical protein	0.0376	0.0979	0.0979
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Echinococcus granulosus	cathepsin l1	0.0376	0.0979	0.0959
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0376	0.0979	0.0959
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0459	0.1302	0.1283
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0415	0.113	1
Onchocerca volvulus		0.0376	0.0979	0.0832
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	0.1302
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0261	0.0533	0.2513
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0262	0.0539	0.0539
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Loa Loa (eye worm)	cysteine protease	0.0376	0.0979	0.0979
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1128	0.3892	0.3892
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Echinococcus granulosus	cathepsin L	0.0209	0.0333	0.0312
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0261	0.0533	0.0533
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Plasmodium vivax	RNA helicase-1, putative	0.0261	0.0533	0.2067
Echinococcus multilocularis	cysteine protease	0.0376	0.0979	0.0959
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0376	0.0979	0.6665
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Echinococcus granulosus	cathepsin l1	0.0262	0.0539	0.0518
Brugia malayi	Cathepsin L-like precursor	0.0262	0.0539	0.0539
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Echinococcus multilocularis	cathepsin b	0.1128	0.3892	0.3879
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1128	0.3892	1
Onchocerca volvulus		0.0459	0.1302	0.116
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Brugia malayi	Trypsin family protein	0.0164	0.016	0.016
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0459	0.1302	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Loa Loa (eye worm)	hypothetical protein	0.2705	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0376	0.0979	0.0959
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0465	0.1324	0.1324
Echinococcus multilocularis	cathepsin L	0.0209	0.0333	0.0312
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Onchocerca volvulus		0.0262	0.0539	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0262	0.0539	0.2579
Onchocerca volvulus		0.0376	0.0979	0.0832
Loa Loa (eye worm)	cathepsin B	0.0415	0.113	0.113
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0415	0.113	0.113
Echinococcus granulosus	sodium and chloride dependent glycine	0.0459	0.1302	0.1283
Onchocerca volvulus	Cathepsin L homolog	0.0376	0.0979	0.0832
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0459	0.1302	0.1283
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0376	0.0979	0.6665
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0244	0.0468	0.0447
Loa Loa (eye worm)	hypothetical protein	0.2705	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Schistosoma mansoni	cathepsin F (C01 family)	0.0376	0.0979	0.0979
Loa Loa (eye worm)	norepinephrine transporter	0.2705	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0261	0.0533	0.2513
Echinococcus multilocularis	cysteine protease	0.0376	0.0979	0.0959
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0459	0.1302	0.1283
Brugia malayi	Cathepsin L-like precursor	0.0376	0.0979	0.0979
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0459	0.1302	0.1283
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0164	0.016	0.016
Brugia malayi	Papain family cysteine protease containing protein	0.0209	0.0333	0.0333
Toxoplasma gondii	cathepsin CPL	0.0376	0.0979	0.5797
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1128	0.3892	0.3892
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0261	0.0533	0.0562
Loa Loa (eye worm)	fibroinase	0.0376	0.0979	0.0979
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0261	0.0533	0.0513
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Loa Loa (eye worm)	hypothetical protein	0.2705	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0376	0.0979	0.0959
Echinococcus granulosus	cathepsin L cysteine protease	0.0209	0.0333	0.0312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0376	0.0979	0.8104
Leishmania major	cysteine peptidase A (CPA)	0.0376	0.0979	0.7468
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0459	0.1302	0.1283
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0244	0.0468	0.0447
Trypanosoma cruzi	cysteine peptidase, putative	0.0376	0.0979	0.1814
Echinococcus multilocularis	serotonin transporter	0.2705	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Leishmania major	cathepsin L-like protease	0.0376	0.0979	0.7468
Echinococcus granulosus	serotonin transporter	0.2705	1	1
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0459	0.1302	0.1283
Schistosoma mansoni	purine nucleoside phosphorylase	0.0308	0.0715	0.0715
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0415	0.113	0.2238
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0129	0.0022	0.0022
Brugia malayi	hypothetical protein	0.0459	0.1302	0.1302
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0459	0.1302	0.1302
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0209	0.0333	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0262	0.0539	0.0539
Brugia malayi	cathepsin B-like cysteine proteinase	0.1128	0.3892	0.3892
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Brugia malayi	Papain family cysteine protease containing protein	0.0376	0.0979	0.0979
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0459	0.1302	0.1302
Brugia malayi	eukaryotic initiation factor 4A	0.0261	0.0533	0.0533
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0244	0.0468	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0459	0.1302	0.1302
Echinococcus multilocularis	cathepsin L cysteine protease	0.0376	0.0979	0.0959
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0376	0.0979	0.8104
Plasmodium falciparum	transporter, putative	0.0459	0.1302	1
Loa Loa (eye worm)	serotonin transporter b	0.2705	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0164	0.016	0.016
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0415	0.113	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0376	0.0979	0.8104
Echinococcus granulosus	sodium and chloride dependent glycine	0.0459	0.1302	0.1283
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694
Brugia malayi	cathepsin L-like precursor	0.0262	0.0539	0.0539
Entamoeba histolytica	cysteine proteinase, putative	0.0376	0.0979	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0459	0.1302	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0376	0.0979	0.8104
Echinococcus granulosus	purine nucleoside phosphorylase	0.0308	0.0715	0.0694

Activities

Activity type	Activity value	Assay description	Source	Reference
K6 (binding)	= 0.013 s-1	Rate constant of compound was determined for interaction with human purine nucleoside phosphorylase(PNP)	ChEMBL.	12502369
K6 (binding)	= 0.021 s-1	Rate constant of compound was determined for interaction with bovine purine nucleoside phosphorylase(PNP)	ChEMBL.	12502369
Ki (binding)	= 0.18 nM	Equilibrium dissociation constant of the compound determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition	ChEMBL.	12852771
Ki (binding)	= 1.4 nM	Inhibition of human purine nucleoside phosphorylase; Initial rate.	ChEMBL.	12852771
Ki (binding)	= 42 pM	Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)	ChEMBL.	12502369
Ki (binding)	= 104 pM	Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)	ChEMBL.	12502369
Ki (binding)	= 180 pM	Dissociation constant of the compound against Human Purine Nucleoside Phosphorylase was reported	ChEMBL.	14613329
Ki (binding)	= 1400 pM	Binding affinity towards Human Purine Nucleoside Phosphorylase was reported	ChEMBL.	14613329

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.

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External resources for this compound

ChEMBL: CHEMBL2311112

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 1698525