TDR Targets

Basic information

Technical information

TDR Targets ID: 883457
Name: 3-methyl-8-(3-methylpiperidin-1-yl)-7-propan- 2-ylpurine-2,6-dione
MW: 305.375 | Formula: C15H23N5O2
H donors: 1 H acceptors: 3 LogP: 1.83 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCCN(C1)c1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C
InChi: 1S/C15H23N5O2/c1-9(2)20-11-12(18(4)15(22)17-13(11)21)16-14(20)19-7-5-6-10(3)8-19/h9-10H,5-8H2,1-4H3,(H,17,21,22)
InChiKey: ZBPXMZLYVCFJSW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

7-isopropyl-3-methyl-8-(3-methyl-1-piperidyl)purine-2,6-dione
7-isopropyl-3-methyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione
7-isopropyl-3-methyl-8-(3-methyl-1-piperidyl)xanthine
3-methyl-8-(3-methylpiperidin-1-yl)-7-propan-2-yl-purine-2,6-dione

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
Brugia malayi	GMP reductase	0.0075	0.1021	0.1021
Echinococcus multilocularis	roundabout 2	0.0033	0.0164	0.0517
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0164	0.0164
Loa Loa (eye worm)	GMP reductase	0.0075	0.1021	0.1021
Echinococcus multilocularis	Immunoglobulin	0.0031	0.0132	0.0416
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.018	0.3176	0.5
Echinococcus granulosus	roundabout 2	0.0064	0.0807	0.2541
Trypanosoma cruzi	GMP reductase	0.018	0.3176	0.5
Echinococcus multilocularis	Immunoglobulin	0.0031	0.0132	0.0416
Schistosoma mansoni	neuroglian	0.0033	0.0164	0.0106
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0033	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0342	0.0342
Echinococcus granulosus	Immunoglobulin	0.0031	0.0132	0.0416
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0033	0.0164	0.0517
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.018	0.3176	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0433	0.0433
Brugia malayi	hypothetical protein	0.0046	0.0433	0.0433
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0031	0.0132	0.0416
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0169	0.2957	0.5
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.018	0.3176	0.3176
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0164	0.0164
Echinococcus multilocularis	roundabout 2	0.0033	0.0164	0.0517
Leishmania major	guanosine monophosphate reductase	0.018	0.3176	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0433	0.0433
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0033	0.0164	0.0106
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0169	0.2957	0.5
Trypanosoma brucei	GMP reductase	0.018	0.3176	0.5
Schistosoma mansoni	cell adhesion molecule	0.0056	0.0643	0.1678
Loa Loa (eye worm)	hypothetical protein	0.005	0.0506	0.0506
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.018	0.3176	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0033	0.0164	0.0517
Loa Loa (eye worm)	hypothetical protein	0.005	0.0506	0.0506
Schistosoma mansoni	cell adhesion molecule	0.0033	0.0164	0.0106
Schistosoma mansoni	cell adhesion molecule	0.0033	0.0164	0.0106
Echinococcus multilocularis	roundabout 2	0.0064	0.0807	0.2541
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.018	0.3176	1
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0033	0.0164	0.0517
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0033	0.0164	0.0164
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0046	0.0433	0.0433
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0033	0.0164	0.0517
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0033	0.0164	0.0164
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.018	0.3176	0.5
Trypanosoma cruzi	GMP reductase	0.018	0.3176	0.5
Schistosoma mansoni	nephrin	0.0054	0.0597	0.1529
Echinococcus granulosus	neuroglian	0.0033	0.0164	0.0517
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0132	0.0132
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0513	1	1
Echinococcus granulosus	roundabout 2	0.0033	0.0164	0.0517
Onchocerca volvulus	Tyrosine kinase homolog	0.048	0.9312	1
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0169	0.2957	0.8869
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.018	0.3176	1
Onchocerca volvulus		0.0466	0.9024	0.9653
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.018	0.3176	1
Toxoplasma gondii	IMP dehydrogenas	0.018	0.3176	0.5
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.018	0.3176	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0164	0.0164
Echinococcus granulosus	twitchin	0.0039	0.0296	0.0932
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0095	0.1425	0.0954
Brugia malayi	Fibronectin type III domain containing protein	0.0046	0.0433	0.0433
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.018	0.3176	0.5
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.018	0.3176	1
Echinococcus granulosus	neuroglian	0.0039	0.0296	0.0932
Schistosoma mansoni	nephrin	0.0033	0.0164	0.0106
Echinococcus granulosus	defective proboscis extension response	0.0031	0.0132	0.0416
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0042	0.0342	0.1075
Echinococcus granulosus	roundabout 2	0.0033	0.0164	0.0517
Leishmania major	inosine-5-monophosphate dehydrogenase	0.018	0.3176	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0132	0.0132
Echinococcus multilocularis	neuroglian	0.0039	0.0296	0.0932
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0033	0.0164	0.0517
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.018	0.3176	0.5
Echinococcus multilocularis	neuroglian	0.0033	0.0164	0.0517
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0075	0.1021	0.1021
Echinococcus granulosus	contactin	0.0033	0.0164	0.0517
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0075	0.1021	0.1021
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0132	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0433	0.0433
Loa Loa (eye worm)	IMP dehydrogenase 1	0.018	0.3176	0.3176

Activities

No activities found for this compound.

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

Search by Saint Jude

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 883457