TDR Targets

Basic information

Technical information

TDR Targets ID: 61587
Name: (2S,3R)-3-(6-aminopurin-9-yl)-7-phenylheptan- 2-ol
MW: 325.408 | Formula: C18H23N5O
H donors: 2 H acceptors: 4 LogP: 2.63 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]([C@H](n1cnc2c1ncnc2N)CCCCc1ccccc1)O
InChi: 1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
InChiKey: HWARBJPXURXCIU-DZGCQCFKSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(2S,3R)-3-(6-aminopurin-9-yl)-7-phenyl-heptan-2-ol
(2S,3R)-3-(6-aminopurin-9-yl)-7-phenyl-2-heptanol
(2S,3R)-3-adenin-9-yl-7-phenyl-heptan-2-ol
(2S,3R)-3-(6-amino-9-purinyl)-7-phenylheptan-2-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bos taurus	Adenosine deaminase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Babesia bovis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma mansoni	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Brugia malayi	Adenosine/AMP deaminase family protein	Get druggable targets OG5_127245	All targets in OG5_127245
Entamoeba histolytica	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Onchocerca volvulus	Adenosine deaminase homolog	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium ulcerans	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma japonicum	ko:K01488 adenosine deaminase [EC3.5.4.4], putative	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Neospora caninum	Adenosine deaminase (EC 3.5.4.4), related	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium knowlesi	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania mexicana	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium falciparum	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Trichomonas vaginalis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania donovani	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Entamoeba histolytica	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Echinococcus granulosus	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Neospora caninum	adenosine/AMP deaminase domain containing protein, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium berghei	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania infantum	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium vivax	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Trichomonas vaginalis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Echinococcus multilocularis	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma mansoni	adenosine deaminase-related	Get druggable targets OG5_127245	All targets in OG5_127245
Treponema pallidum	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium yoelii	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma japonicum	ko:K01488 adenosine deaminase [EC3.5.4.4], putative	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania braziliensis	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Dictyostelium discoideum	adenosine deaminase-related growth factor	Adenosine deaminase	363 aa	299 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	survival motor neuron protein	0.0096	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1177	0.1177
Schistosoma mansoni	hypothetical protein	0.0096	0.0159	0.0159
Echinococcus granulosus	sterol O acyltransferase 1	0.0255	0.0594	0.0594
Brugia malayi	beta-NAC-like protein	0.0039	0.0005	0.0005
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0725	0.1877	0.1726
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0279	0.0279
Schistosoma mansoni	hypothetical protein	0.0339	0.0823	0.0823
Brugia malayi	prolyl oligopeptidase family protein	0.0111	0.0202	0.0202
Echinococcus granulosus	geminin	0.0339	0.0823	0.0823
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0364	0.0364
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0005	0.0028
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0725	0.1877	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0181	0.0181
Plasmodium falciparum	peptidase, putative	0.0111	0.0202	0.0377
Trichomonas vaginalis	adenosine deaminase, putative	0.0104	0.0181	0.0967
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0111	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.1954	0.5228	1
Brugia malayi	prolyl oligopeptidase family protein	0.1061	0.2793	0.2793
Echinococcus multilocularis	peroxidasin	0.0076	0.0106	0.0106
Plasmodium vivax	ataxin-2 like protein, putative	0.0075	0.0104	0.0189
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.0106	0.0106
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0111	0.0202	0.0387
Chlamydia trachomatis	dihydrofolate reductase	0.3703	1	0.5
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.3703	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0024	0.0024
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0111	0.0202	0.1077
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.0463	0.0463
Echinococcus multilocularis	prolyl endopeptidase	0.1061	0.2793	0.2793
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0725	0.1877	1
Loa Loa (eye worm)	hypothetical protein	0.0243	0.0561	0.0561
Trypanosoma brucei	prolyl endopeptidase	0.1061	0.2793	0.5341
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0725	0.1877	0.359
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0005	0.001
Brugia malayi	Kelch motif family protein	0.0096	0.0161	0.0161
Echinococcus multilocularis	integrin alpha ps	0.0139	0.0277	0.0277
Schistosoma mansoni	alpha-glucosidase	0.0139	0.0279	0.0279
Schistosoma mansoni	peroxidasin	0.0076	0.0106	0.0106
Onchocerca volvulus	Prolyl endopeptidase homolog	0.1061	0.2793	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0725	0.1877	0.359
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.0106	0.0106
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.0106	0.0106
Echinococcus multilocularis	integrin alpha ps	0.0067	0.008	0.008
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0111	0.0202	0.0357
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0725	0.1877	0.1877
Brugia malayi	thymidylate synthase	0.043	0.1071	0.1071
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0024	0.0024
Schistosoma mansoni	integrin alpha	0.031	0.0743	0.0743
Leishmania major	adenine aminohydrolase	0.0104	0.0181	0.0347
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0097	0.0097
Echinococcus multilocularis	integrin beta 2	0.047	0.118	0.118
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.1061	0.2793	0.2793
Echinococcus granulosus	acylamino acid releasing enzyme	0.0111	0.0202	0.0202
Brugia malayi	Peroxidasin	0.0076	0.0106	0.0106
Entamoeba histolytica	hypothetical protein	0.0073	0.0097	0.0517
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0725	0.1877	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0089	0.0089
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0111	0.0202	0.0387
Echinococcus granulosus	integrin alpha 3	0.0237	0.0546	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0111	0.0202	0.1077
Entamoeba histolytica	hypothetical protein, conserved	0.0111	0.0202	0.1077
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0725	0.1877	0.1877
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0162	0.0341	0.0341
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0422	0.1049	0.2007
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0204	0.0456	0.0456
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0005	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0049	0.0031	0.0031
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0725	0.1877	0.359
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0005	0.0005
Echinococcus granulosus	transcription factor btf3	0.0039	0.0005	0.0005
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.0106	0.0106
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0024	0.0024
Schistosoma mansoni	lipoxygenase	0.0055	0.0048	0.0048
Loa Loa (eye worm)	blistered cuticle protein 3	0.0076	0.0106	0.0106
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0048	0.0048
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0725	0.1877	0.359
Loa Loa (eye worm)	dihydrofolate reductase	0.3703	1	1
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0234	0.0537	0.0537
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0111	0.0202	0.0202
Plasmodium vivax	RNA helicase-1, putative	0.0725	0.1877	0.3583
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.0341	0.0341
Leishmania major	eukaryotic initiation factor 4a, putative	0.0725	0.1877	0.359
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1954	0.5228	1
Schistosoma mansoni	hypothetical protein	0.0339	0.0823	0.0823
Schistosoma mansoni	hypothetical protein	0.0067	0.008	0.008
Trypanosoma cruzi	prolyl endopeptidase	0.1061	0.2793	0.5341
Trichomonas vaginalis	conserved hypothetical protein	0.0111	0.0202	0.1077
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0005	0.001
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.0202	0.0387
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.1061	0.2793	0.2793
Trypanosoma cruzi	hypothetical protein, conserved	0.0111	0.0202	0.0387
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0111	0.0202	0.0387
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.043	0.1071	0.1071
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.0106	0.0106
Echinococcus multilocularis	geminin	0.0339	0.0823	0.0823
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0111	0.0202	0.0387
Schistosoma mansoni	integrin alpha-ps	0.0139	0.0277	0.0277
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0111	0.0202	0.0202
Plasmodium vivax	adenosine deaminase, putative	0.0104	0.0181	0.0338
Onchocerca volvulus		0.0096	0.0159	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0005	0.0005
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0096	0.0159	0.0159
Schistosoma mansoni	adenosine deaminase	0.0104	0.0181	0.0181
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0162	0.0341	0.0341
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0422	0.1049	0.1049
Toxoplasma gondii	LsmAD domain-containing protein	0.0075	0.0104	0.0199
Loa Loa (eye worm)	prolyl oligopeptidase	0.0111	0.0202	0.0202
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0111	0.0202	0.1077
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1954	0.5228	1
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0111	0.0202	0.0202
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.1061	0.2793	0.5341
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0111	0.0202	0.0387
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0111	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.0104	0.0189
Mycobacterium tuberculosis	Probable peptidase	0.0422	0.1049	0.0884
Echinococcus granulosus	integrin beta 2	0.047	0.118	0.118
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.095	0.2489	0.235
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0104	0.0181	0.0347
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.0181	0.0967
Schistosoma mansoni	integrin alpha-ps	0.0072	0.0096	0.0096
Brugia malayi	Dihydrofolate reductase	0.3703	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.0104	0.0199
Schistosoma mansoni	integrin beta subunit	0.0373	0.0917	0.0917
Schistosoma mansoni	dihydrofolate reductase	0.3703	1	1
Trypanosoma cruzi	oligopeptidase b	0.0422	0.1049	0.2007
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0202	0.0202
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0024	0.0024
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.0089	0.0089
Trichomonas vaginalis	adenosine deaminase, putative	0.0104	0.0181	0.0967
Brugia malayi	prolyl oligopeptidase family protein	0.0111	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0202	0.0202
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0111	0.0202	0.0202
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0005	0.0028
Brugia malayi	hypothetical protein	0.0075	0.0104	0.0104
Trypanosoma brucei	PAB1-binding protein , putative	0.0075	0.0104	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0255	0.0594	0.0594
Mycobacterium ulcerans	adenosine deaminase	0.0104	0.0181	0.0181
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0111	0.0202	0.0387
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0204	0.0456	0.0872
Onchocerca volvulus		0.043	0.1071	0.359
Loa Loa (eye worm)	integrin beta-2	0.0634	0.1628	0.1628
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1954	0.5228	1
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0725	0.1877	0.1877
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0161	0.0161
Brugia malayi	Blistered cuticle protein 3	0.0076	0.0106	0.0106
Loa Loa (eye worm)	prolyl oligopeptidase	0.0111	0.0202	0.0202
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0111	0.0202	0.1077
Schistosoma mansoni	transcription factor btf3	0.0039	0.0005	0.0005
Brugia malayi	Animal haem peroxidase family protein	0.0076	0.0106	0.0106
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.0341	0.0341
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0725	0.1877	1
Echinococcus multilocularis	thymidylate synthase	0.043	0.1071	0.1071
Echinococcus granulosus	integrin alpha ps	0.0067	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0005	0.001
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0096	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0725	0.1877	0.1877
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0005	0.001
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0111	0.0202	0.0202
Echinococcus multilocularis	integrin alpha ps	0.0139	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0096	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0537	0.0537
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0422	0.1049	0.2007
Entamoeba histolytica	hypothetical protein	0.0073	0.0097	0.0517
Onchocerca volvulus		0.0236	0.0541	0.1619
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0422	0.1049	0.0884
Leishmania major	eukaryotic initiation factor 4a, putative	0.0725	0.1877	0.359
Echinococcus granulosus	peroxidasin	0.0076	0.0106	0.0106
Loa Loa (eye worm)	thymidylate synthase	0.043	0.1071	0.1071
Entamoeba histolytica	hypothetical protein	0.0039	0.0005	0.0028
Loa Loa (eye worm)	hypothetical protein	0.023	0.0526	0.0526
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0422	0.1049	0.2007
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.0106	0.0106
Echinococcus multilocularis	sterol O acyltransferase 1	0.0255	0.0594	0.0594
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0725	0.1877	0.1877
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0725	0.1877	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Brugia malayi	Integrin beta pat-3 precursor	0.0634	0.1628	0.1628
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.1061	0.2793	0.2793
Brugia malayi	hypothetical protein	0.0076	0.0106	0.0106
Leishmania major	hypothetical protein, conserved	0.0075	0.0104	0.0199
Brugia malayi	hypothetical protein	0.0096	0.0161	0.0161
Plasmodium vivax	hypothetical protein, conserved	0.0111	0.0202	0.0377
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0097	0.0097
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0024	0.0024
Mycobacterium ulcerans	thymidylate synthase	0.043	0.1071	0.1071
Brugia malayi	Adenosine/AMP deaminase family protein	0.0104	0.0181	0.0181
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0725	0.1877	0.1877
Trypanosoma cruzi	oligopeptidase b	0.0422	0.1049	0.2007
Loa Loa (eye worm)	hypothetical protein	0.007	0.0089	0.0089
Trypanosoma brucei	oligopeptidase b	0.0422	0.1049	0.2007
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Echinococcus multilocularis	integrin alpha 3	0.0237	0.0546	0.0546
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0111	0.0202	0.0387
Brugia malayi	eukaryotic initiation factor 4A	0.0725	0.1877	0.1877
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.3703	1	1
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0422	0.1049	0.2007
Brugia malayi	Pre-SET motif family protein	0.0207	0.0463	0.0463
Loa Loa (eye worm)	integrin alpha pat-2	0.0477	0.12	0.12
Loa Loa (eye worm)	hypothetical protein	0.0067	0.008	0.008
Brugia malayi	prolyl oligopeptidase family protein	0.0111	0.0202	0.0202
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.043	0.1071	0.0905
Echinococcus granulosus	prolyl endopeptidase	0.1061	0.2793	0.2793
Brugia malayi	hypothetical protein	0.0073	0.0097	0.0097
Echinococcus granulosus	integrin alpha ps	0.0139	0.0277	0.0277
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.0104	0.0189
Onchocerca volvulus	Adenosine deaminase homolog	0.0104	0.0181	0.028
Echinococcus multilocularis	dihydrofolate reductase	0.3703	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0469	0.1177	0.1177
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0111	0.0202	0.1077
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0111	0.0202	0.0202
Toxoplasma gondii	hypothetical protein	0.0111	0.0202	0.0387
Echinococcus granulosus	dihydrofolate reductase	0.3703	1	1
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0111	0.0202	0.1077
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.0541	0.2884
Echinococcus multilocularis	adenosine deaminase	0.0104	0.0181	0.0181
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1954	0.5228	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0104	0.0104
Onchocerca volvulus		0.0094	0.0154	0.0179
Loa Loa (eye worm)	hypothetical protein	0.007	0.0089	0.0089
Plasmodium falciparum	adenosine deaminase	0.0104	0.0181	0.0338
Entamoeba histolytica	hypothetical protein	0.0073	0.0097	0.0517
Brugia malayi	hypothetical protein	0.0469	0.1177	0.1177
Brugia malayi	prolyl oligopeptidase family protein	0.0111	0.0202	0.0202
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0048	0.0048
Echinococcus granulosus	lysosomal alpha glucosidase	0.0162	0.0341	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0106	0.0106
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1624	0.4328	0.4328
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0111	0.0202	0.0387
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.043	0.1071	0.0905
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0111	0.0202	0.0202
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.3703	1	1
Entamoeba histolytica	transcription factor BTF3, putative	0.0039	0.0005	0.0028
Treponema pallidum	ATP-dependent RNA helicase	0.0725	0.1877	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0725	0.1877	0.1877
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.0106	0.0106
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.0519	0.0343
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0422	0.1049	0.2007
Schistosoma mansoni	adenosine deaminase-related	0.0104	0.0181	0.0181
Schistosoma mansoni	sterol O-acyltransferase 1	0.0255	0.0594	0.0594
Echinococcus multilocularis	survival motor neuron protein 1	0.0469	0.1177	0.1177
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0005	0.001
Entamoeba histolytica	hypothetical protein	0.0073	0.0097	0.0517
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0725	0.1877	0.6591
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.0181	0.0967
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0024	0.0024
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0725	0.1877	0.3583
Toxoplasma gondii	prolyl endopeptidase	0.1061	0.2793	0.5341
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0422	0.1049	0.0884
Schistosoma mansoni	peroxidasin	0.0076	0.0106	0.0106
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0104	0.0181	0.0347
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1954	0.5228	1
Brugia malayi	Integrin alpha pat-2 precursor	0.031	0.0743	0.0743
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.0073	0.0097	0.0097
Echinococcus granulosus	thymidylate synthase	0.043	0.1071	0.1071
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.0104	0.0199
Echinococcus granulosus	adenosine deaminase	0.0104	0.0181	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.0204	0.0456	0.2431
Leishmania major	oligopeptidase b	0.0422	0.1049	0.2007
Loa Loa (eye worm)	animal heme peroxidase	0.0076	0.0106	0.0106
Mycobacterium tuberculosis	Hypothetical protein	0.0204	0.0456	0.028
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0111	0.0202	0.1077

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.00000000076 M	Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)	ChEMBL.	9873405
Ki (binding)	= 0.00000000076 M	Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)	ChEMBL.	9873405
Ki (binding)	= 0.76 nM	Inhibition of Adenosine deaminase (ADA) of calf intestine	ChEMBL.	11101360

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: CHEMBL295003
PubChem: 10404061

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 61587