TDR Targets

Basic information

Technical information

TDR Targets ID: 200256
Name: 6-(2-methylpropoxy)-7H-purin-2-amine
MW: 207.232 | Formula: C9H13N5O
H donors: 2 H acceptors: 3 LogP: 1.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(COc1nc(N)nc2c1nc[nH]2)C
InChi: 1S/C9H13N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
InChiKey: RDPBSALYCFKBEJ-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

6-isobutoxy-7H-purin-2-amine
(6-isobutoxy-7H-purin-2-yl)amine
O6-Substituted Guanine Deriv. 9

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	Peroxidase homolog	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0052	1	1
Echinococcus multilocularis	protein jagged 2	0.0017	0.0204	0.0204
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0204	0.0204
Onchocerca volvulus	Peroxidasin homolog	0.0052	1	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0026	0.277	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0026	0.277	1
Toxoplasma gondii	EGF family domain-containing protein	0.0017	0.0204	0.5
Echinococcus granulosus	neural cadherin	0.0017	0.0204	0.0204
Echinococcus granulosus	notch	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Brugia malayi	Blistered cuticle protein 3	0.0052	1	1
Echinococcus granulosus	protein jagged 1	0.0017	0.0204	0.0204
Schistosoma mansoni	cytochrome P450 reductase	0.0026	0.277	0.277
Loa Loa (eye worm)	Notch2	0.0017	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0017	0.0204	0.0204
Brugia malayi	flavodoxin family protein	0.0026	0.277	0.277
Giardia lamblia	Hypothetical protein	0.0023	0.1947	1
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0026	0.277	0.5
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0026	0.277	0.277
Echinococcus multilocularis	slit 2 protein	0.0017	0.0204	0.0204
Schistosoma mansoni	cell polarity protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	notch protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Schistosoma mansoni	laminin gamma-3 chain	0.0017	0.0204	0.0204
Schistosoma mansoni	septate junction protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	blistered cuticle protein 3	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Trypanosoma cruzi	p450 reductase, putative	0.0026	0.277	0.5
Brugia malayi	GCC2 and GCC3 family protein	0.0017	0.0204	0.0204
Echinococcus granulosus	slit 2 protein	0.0017	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	notch	0.0017	0.0204	0.0204
Onchocerca volvulus	Chorion peroxidase homolog	0.0052	1	1
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0026	0.277	0.277
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	animal heme peroxidase	0.0052	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0204	0.0204
Schistosoma mansoni	slit	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0026	0.277	0.277
Brugia malayi	Cadherin domain containing protein	0.0017	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Echinococcus granulosus	peroxidasin	0.0052	1	1
Brugia malayi	notch-like transmembrane receptor	0.0017	0.0204	0.0204
Echinococcus granulosus	protein jagged 2	0.0017	0.0204	0.0204
Onchocerca volvulus		0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0026	0.277	0.277
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0017	0.0204	0.0204
Giardia lamblia	Nitric oxide synthase, inducible	0.0023	0.1947	1
Loa Loa (eye worm)	animal heme peroxidase	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus granulosus	protein jagged 2	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Trichomonas vaginalis	sulfite reductase, putative	0.0026	0.277	1
Onchocerca volvulus	Peroxidase homolog	0.0052	1	1
Plasmodium falciparum	nitric oxide synthase, putative	0.0026	0.277	0.5
Echinococcus multilocularis	protein jagged 1	0.0017	0.0204	0.0204
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Brugia malayi	Delta serrate ligand family protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Onchocerca volvulus	Peroxidasin homolog	0.0052	1	1
Echinococcus multilocularis	neural cadherin	0.0017	0.0204	0.0204
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0026	0.277	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Chlamydia trachomatis	sulfite reductase	0.0016	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Schistosoma mansoni	peroxidasin	0.0052	1	1
Onchocerca volvulus		0.0052	1	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0017	0.0204	0.0204
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0204	0.0204
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0026	0.277	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus granulosus	neurogenic locus protein delta	0.0017	0.0204	0.0204
Brugia malayi	FAD binding domain containing protein	0.0026	0.277	0.277
Echinococcus multilocularis	fibropellin Ia	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0026	0.277	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0204	0.0204
Onchocerca volvulus		0.0052	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0204	0.0204
Brugia malayi	Animal haem peroxidase family protein	0.0052	1	1
Echinococcus multilocularis	protein jagged 1	0.0017	0.0204	0.0204
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0026	0.277	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus granulosus	delta-like protein 1	0.0017	0.0204	0.0204
Echinococcus granulosus	protein jagged 1	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0026	0.277	0.5
Brugia malayi	EGF-like domain containing protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	peroxidasin	0.0052	1	1
Brugia malayi	Cadherin domain containing protein	0.0017	0.0204	0.0204
Brugia malayi	Muscle positioning protein 4	0.0017	0.0204	0.0204
Schistosoma mansoni	peroxidasin	0.0052	1	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0026	0.277	0.277
Echinococcus granulosus	neurogenic locus notch protein 4	0.0017	0.0204	0.0204
Brugia malayi	Animal haem peroxidase family protein	0.0052	1	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Brugia malayi	Peroxidasin	0.0052	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0052	1	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0026	0.277	0.5
Echinococcus granulosus	fibropellin Ia	0.0017	0.0204	0.0204
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0026	0.277	0.277
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Leishmania major	p450 reductase, putative	0.0026	0.277	1
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Brugia malayi	Animal haem peroxidase family protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0204	0.0204
Schistosoma mansoni	notch	0.0017	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Loa Loa (eye worm)	animal heme peroxidase	0.0052	1	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0026	0.277	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0204	0.0204
Schistosoma mansoni	hypothetical protein	0.0017	0.0204	0.0204

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 42 uM	Inhibition of human Cyclin-dependent kinase 2-cyclin A	ChEMBL.	12139449
IC50 (binding)	= 42 uM	Inhibition of CDK2/Cyclin A (unknown origin)	ChEMBL.	18271520
IC50 (binding)	= 42 uM	Inhibition of human Cyclin-dependent kinase 2-cyclin A	ChEMBL.	12139449
IC50 (binding)	= 45 uM	Inhibition of starfish oocyte (Marthasteria glacialis) Cyclin-dependent kinase 1-cyclin B1	ChEMBL.	12139449
IC50 (binding)	= 45 uM	Inhibition of CDK1/Cyclin B (unknown origin)	ChEMBL.	18271520
IC50 (binding)	= 45 uM	Inhibition of starfish oocyte (Marthasteria glacialis) Cyclin-dependent kinase 1-cyclin B1	ChEMBL.	12139449
IC50 (binding)	= 45 uM	Inhibition of CDK1/Cyclin B (unknown origin)	ChEMBL.	18271520

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: 5329497

Bibliographic References

2 literature references were 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 200256