TDR Targets

Basic information

Technical information

TDR Targets ID: 1549454
Name: 2,8-dichloro-N,N-dimethyl-9-(oxan-2-yl)purin- 6-amine
MW: 316.186 | Formula: C12H15Cl2N5O
H donors: 0 H acceptors: 3 LogP: 3.2 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1nc(N(C)C)c2c(n1)n(C1CCCCO1)c(n2)Cl
InChi: 1S/C12H15Cl2N5O/c1-18(2)9-8-10(17-11(13)16-9)19(12(14)15-8)7-5-3-4-6-20-7/h7H,3-6H2,1-2H3
InChiKey: NVMKZCLWEGENCM-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-dichloro-N,N-dimethyl-9-tetrahydropyran-2-yl-purin-6-amine
2,8-dichloro-N,N-dimethyl-9-(2-tetrahydropyranyl)-6-purinamine
(2,8-dichloro-9-tetrahydropyran-2-yl-purin-6-yl)-dimethyl-amine
NCIOpen2_008407
NSC70895

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0134	0.1113	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0107	0.0747	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0107	0.0747	1
Echinococcus granulosus	endoplasmin	0.0096	0.0598	0.0598
Trypanosoma brucei	heat shock protein 90, putative	0.0107	0.0747	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0793	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.006	0.0114	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Plasmodium vivax	heat shock protein 86, putative	0.0107	0.0747	1
Brugia malayi	Carboxylesterase family protein	0.0134	0.1113	0.1113
Trypanosoma cruzi	Heat shock protein 83, putative	0.0107	0.0747	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0107	0.0747	1
Brugia malayi	Carboxylesterase family protein	0.0134	0.1113	0.1113
Trypanosoma cruzi	heat shock protein 85, putative	0.0091	0.0537	0.7191
Brugia malayi	Endoplasmin precursor	0.0107	0.0747	0.0747
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0091	0.0537	0.0537
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0134	0.1113	0.1113
Echinococcus granulosus	BC026374 protein S09 family	0.0134	0.1113	0.1113
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0134	0.1113	1
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Echinococcus granulosus	heat shock protein	0.0107	0.0747	0.0747
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0134	0.1113	0.1113
Trichomonas vaginalis	heat shock protein, putative	0.0107	0.0747	0.6204
Giardia lamblia	Grp94/Hsp90	0.0096	0.0598	0.2874
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0134	0.1113	1
Schistosoma mansoni	heat shock protein	0.0107	0.0747	0.0747
Echinococcus multilocularis	neuroligin	0.0134	0.1113	0.1113
Echinococcus granulosus	para nitrobenzyl esterase	0.0134	0.1113	0.1113
Loa Loa (eye worm)	carboxylesterase	0.0793	1	1
Echinococcus multilocularis	heat shock protein	0.0107	0.0747	0.0747
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Loa Loa (eye worm)	endoplasmin	0.0107	0.0747	0.0747
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Echinococcus granulosus	carboxylesterase 5A	0.0793	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.1113	0.1113
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0096	0.0598	0.7998
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0134	0.1113	0.1113
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0134	0.1113	0.1113
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Trichomonas vaginalis	heat shock protein, putative	0.0096	0.0598	0.4651
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Loa Loa (eye worm)	heat shock protein 90	0.0107	0.0747	0.0747
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Brugia malayi	Carboxylesterase family protein	0.0134	0.1113	0.1113
Mycobacterium ulcerans	carboxylesterase, LipT	0.0134	0.1113	1
Schistosoma mansoni	heat shock protein	0.0107	0.0747	0.0747
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0793	1	1
Plasmodium falciparum	heat shock protein 90	0.0107	0.0747	1
Echinococcus multilocularis	endoplasmin	0.0096	0.0598	0.0598
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0134	0.1113	0.1113
Entamoeba histolytica	heat shock protein 90, putative	0.0107	0.0747	1
Brugia malayi	hypothetical protein	0.0134	0.1113	0.1113
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.1113	0.1113
Trypanosoma brucei	heat shock protein 90, putative	0.0107	0.0747	1
Echinococcus multilocularis	heat shock protein 90	0.0107	0.0747	0.0747
Brugia malayi	Carboxylesterase family protein	0.0134	0.1113	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Entamoeba histolytica	heat shock protein 90, putative	0.0107	0.0747	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.1113	0.1113
Trypanosoma cruzi	heat shock protein 85, putative	0.0107	0.0747	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Onchocerca volvulus		0.0134	0.1113	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0134	0.1113	1
Onchocerca volvulus		0.0134	0.1113	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0134	0.1113	1
Echinococcus multilocularis	heat shock protein 90	0.0091	0.0537	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Echinococcus granulosus	acetylcholinesterase	0.0793	1	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0096	0.0598	0.5
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Schistosoma mansoni	gliotactin	0.0134	0.1113	0.1113
Onchocerca volvulus		0.0134	0.1113	1
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Echinococcus multilocularis	acetylcholinesterase	0.0793	1	1
Loa Loa (eye worm)	carboxylesterase	0.0134	0.1113	0.1113
Echinococcus granulosus	acetylcholinesterase	0.0793	1	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0107	0.0747	1
Plasmodium falciparum	endoplasmin, putative	0.0063	0.015	0.2002
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Brugia malayi	heat shock protein 90	0.0107	0.0747	0.0747
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0134	0.1113	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Toxoplasma gondii	heat shock protein 90, putative	0.0107	0.0747	1
Echinococcus granulosus	heat shock protein 90	0.0107	0.0747	0.0747
Schistosoma mansoni	BC026374 protein (S09 family)	0.0134	0.1113	0.1113
Loa Loa (eye worm)	carboxylesterase	0.0134	0.1113	0.1113
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Echinococcus multilocularis	acetylcholinesterase	0.0793	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0793	1	1
Toxoplasma gondii	heat shock protein HSP90	0.0107	0.0747	1
Echinococcus granulosus	heat shock protein 90	0.0091	0.0537	0.0537
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0793	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0091	0.0537	0.4025
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1
Schistosoma mansoni	endoplasmin	0.0107	0.0747	0.0747
Trichomonas vaginalis	heat shock protein, putative	0.0096	0.0598	0.4651
Trypanosoma cruzi	heat shock protein 85, putative	0.0107	0.0747	1
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Treponema pallidum	heat shock protein 90	0.0096	0.0598	0.5
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Trypanosoma brucei	heat shock protein, putative	0.0107	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Brugia malayi	Carboxylesterase family protein	0.0793	1	1
Echinococcus granulosus	neuroligin	0.0134	0.1113	0.1113
Schistosoma mansoni	endoplasmin	0.0107	0.0747	0.0747
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0096	0.0598	0.5
Schistosoma mansoni	acetylcholinesterase	0.0134	0.1113	0.1113
Plasmodium vivax	endoplasmin, putative	0.0107	0.0747	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0091	0.0537	0.7191
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1113	0.1113
Onchocerca volvulus		0.0134	0.1113	1
Leishmania major	heat shock protein 83-1	0.0107	0.0747	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1905004

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1549454