TDR Targets

Basic information

Technical information

TDR Targets ID: 229752
Name: 9-[(2R)-1-azidooctan-2-yl]purin-6-amine
MW: 288.352 | Formula: C13H20N8
H donors: 1 H acceptors: 3 LogP: 3.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCC[C@@H](n1cnc2c1ncnc2N)CN=[N+]=[N-]
InChi: 1S/C13H20N8/c1-2-3-4-5-6-10(7-19-20-15)21-9-18-11-12(14)16-8-17-13(11)21/h8-10H,2-7H2,1H3,(H2,14,16,17)/t10-/m1/s1
InChiKey: DFUMBVBEFBNTNQ-SNVBAGLBSA-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

9-[(1R)-1-(azidomethyl)heptyl]purin-6-amine
9-[(1R)-1-(azidomethyl)heptyl]-6-purinamine
[9-[(1R)-1-(azidomethyl)heptyl]purin-6-yl]amine

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
Schistosoma japonicum	ko:K01488 adenosine deaminase [EC3.5.4.4], putative	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
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
Schistosoma mansoni	adenosine deaminase-related	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
Neospora caninum	adenosine/AMP deaminase domain containing protein, putative	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
Leishmania infantum	adenine aminohydrolase	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
Entamoeba histolytica	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium ulcerans	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
Loa Loa (eye worm)	hypothetical protein	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
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine 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
Echinococcus multilocularis	adenosine deaminase	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
Loa Loa (eye worm)	hypothetical protein	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
Babesia bovis	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
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania braziliensis	adenine aminohydrolase	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 leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	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
Schistosoma mansoni	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania major	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Treponema pallidum	adenosine deaminase	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
Onchocerca volvulus	Adenosine deaminase homolog	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium falciparum	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium yoelii	adenosine deaminase	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	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0793	0.0793
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0793	0.0793
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0004	0.0008
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0793	0.0793
Brugia malayi	jmjC domain containing protein	0.0111	0.473	1
Trypanosoma cruzi	AMP deaminase, putative	0.0034	0	0.5
Trypanosoma brucei	AMP deaminase, putative	0.0034	0	0.5
Schistosoma mansoni	hypothetical protein	0.0197	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0441	0.1027
Trichomonas vaginalis	adenosine deaminase, putative	0.0104	0.4292	0.5
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0104	0.4292	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.2218	0.5169
Onchocerca volvulus	Alhambra homolog	0.0034	0.0004	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0104	0.4292	1
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0104	0.4292	1
Brugia malayi	jmjC domain containing protein	0.0041	0.0441	0.0932
Onchocerca volvulus	Adenosine deaminase homolog	0.0104	0.4292	1
Leishmania major	adenine aminohydrolase	0.0104	0.4292	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.2218	0.5169
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0004	0.0004
Echinococcus granulosus	peregrin	0.0034	0.0004	0.0004
Treponema pallidum	adenosine deaminase	0.0104	0.4292	0.5
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.4292	1
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.0034	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0793	0.0793
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.0817	0.0817
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.2215	0.5162
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.004	0.0354	0.0826
Giardia lamblia	PHD finger protein 15	0.0034	0.0004	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0793	0.1676
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0441	0.0441
Mycobacterium ulcerans	adenosine deaminase	0.0104	0.4292	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0004	0.0004
Echinococcus multilocularis	adenosine deaminase	0.0104	0.4292	0.4292
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1478	0.3125
Schistosoma mansoni	adenosine deaminase-related	0.0104	0.4292	0.4292
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1732	0.1732
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.473	0.473
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1732	0.4034
Schistosoma mansoni	adenosine deaminase	0.0104	0.4292	0.4292
Echinococcus multilocularis	geminin	0.0197	1	1
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0104	0.4292	1
Trypanosoma brucei	AMP deaminase, putative	0.0034	0	0.5
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0004	0.0008
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.0034	0	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0441	0.0441
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0004	0.0004
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0441	0.0441
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1732	0.4034
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.4292	1
Trichomonas vaginalis	adenosine deaminase, putative	0.0104	0.4292	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1488	0.3466
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0004	0.0008
Plasmodium falciparum	adenosine deaminase	0.0104	0.4292	1
Brugia malayi	Bromodomain containing protein	0.0034	0.0004	0.0007
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1732	0.1732
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.473	0.473
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0793	0.0793
Plasmodium vivax	adenosine deaminase, putative	0.0104	0.4292	1
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.3331	0.3331
Echinococcus multilocularis	peregrin	0.0034	0.0004	0.0004
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1478	0.3125
Trypanosoma cruzi	AMP deaminase, putative	0.0034	0	0.5
Trypanosoma cruzi	AMP deaminase, putative	0.0034	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0793	0.0793
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.0034	0	0.5
Trypanosoma cruzi	AMP deaminase, putative	0.0034	0	0.5
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0004	0.0008
Trypanosoma brucei	AMP deaminase, putative	0.0034	0	0.5
Schistosoma mansoni	hypothetical protein	0.004	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0004	0.0008
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.0817	0.0817
Loa Loa (eye worm)	hypothetical protein	0.007	0.2218	0.5169
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0104	0.4292	1
Brugia malayi	PHD-finger family protein	0.0034	0.0004	0.0007
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0354	0.0749
Brugia malayi	Adenosine/AMP deaminase family protein	0.0104	0.4292	0.9075
Trypanosoma cruzi	AMP deaminase, putative	0.0034	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1478	0.3444
Loa Loa (eye worm)	hypothetical protein	0.007	0.2218	0.5169
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1732	0.1732
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0441	0.0441
Echinococcus granulosus	adenosine deaminase	0.0104	0.4292	0.4292
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0793	0.0793
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0004	0.0008
Schistosoma mansoni	hypothetical protein	0.0197	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1732	0.1732
Trypanosoma cruzi	AMP deaminase 2, putative	0.0034	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1478	0.3444
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0793	0.1847

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.3 uM	Binding affinity (Ki) of the compound at calf intestinal adenosine deaminase.	ChEMBL.	1433220
Ki (binding)	= 1.3 uM	Binding affinity (Ki) of the compound at calf intestinal adenosine deaminase.	ChEMBL.	1433220

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

PubChem: 10334306

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 229752