TDR Targets

Basic information

Technical information

TDR Targets ID: 213184
Name: 5-[(4-butoxy-3-methoxyphenyl)methyl]pyrimidin e-2,4-diamine
MW: 302.371 | Formula: C16H22N4O2
H donors: 2 H acceptors: 2 LogP: 2.62 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCOc1ccc(cc1OC)Cc1cnc(nc1N)N
InChi: 1S/C16H22N4O2/c1-3-4-7-22-13-6-5-11(9-14(13)21-2)8-12-10-19-16(18)20-15(12)17/h5-6,9-10H,3-4,7-8H2,1-2H3,(H4,17,18,19,20)
InChiKey: CBVOSPUWDDLWCK-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

5-[(4-butoxy-3-methoxy-phenyl)methyl]pyrimidine-2,4-diamine
[2-amino-5-(4-butoxy-3-methoxy-benzyl)pyrimidin-4-yl]amine
80267-19-2
2,4-Diamino-5-(3-methoxy-4-n-butoxybenzyl)pyrimidine
2,4-Pyrimidinediamine, 5-((4-butoxy-3-methoxyphenyl)methyl)-
5-((4-Butoxy-3-methoxyphenyl)methyl)-2,4-pyrimidinediamine
AIDS-033110
AIDS033110

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
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0154	0.0154
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.2685	0.396	0.396
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.1324	0.1923	0.0165
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.3007	0.4441	0.3722
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0154	0.0154
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.2685	0.396	0.396
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0154	0.0149
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.3397	0.5025	0.5025
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.1324	0.1923	0.1923
Mycobacterium leprae	conserved hypothetical protein	0.174	0.2545	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Loa Loa (eye worm)	PDE1B protein	0.6723	1	1
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0154	0.0154
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.3007	0.4441	0.4441
Trichomonas vaginalis	conserved hypothetical protein	0.5942	0.8832	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.5942	0.8832	1
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.1324	0.1923	0.012
Loa Loa (eye worm)	hypothetical protein	0.3397	0.5025	0.5025
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.5942	0.8832	1
Plasmodium vivax	hypothetical protein, conserved	0.174	0.2545	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.1267	0.1838	0.1838
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.1418	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.174	0.2545	0.2545
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0154	0.0154
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.4092	0.6064	0.6064
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.1267	0.1838	0.1838
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.6723	1	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.1267	0.1838	0.1834
Trichomonas vaginalis	conserved hypothetical protein	0.4674	0.6936	0.7289
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.1418	0.2064	0.2064
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.5942	0.8832	0.8832
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.3007	0.4441	0.3722
Trichomonas vaginalis	conserved hypothetical protein	0.4674	0.6936	0.7289
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.1324	0.1923	0.1923
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.174	0.2545	0.5
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0154	0.0149
Toxoplasma gondii	hypothetical protein	0.4674	0.6936	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Plasmodium falciparum	GAF domain-related protein, putative	0.174	0.2545	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.4202	0.6229	0.6278
Mycobacterium ulcerans	putative regulatory protein	0.174	0.2545	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.2685	0.396	0.396
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Trichomonas vaginalis	conserved hypothetical protein	0.174	0.2545	0.1011
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.3007	0.4441	0.4441
Loa Loa (eye worm)	hypothetical protein	0.1267	0.1838	0.1838
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.3007	0.4441	0.3722
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.2688	0.3964	0.4169
Toxoplasma gondii	GAF domain-containing protein	0.174	0.2545	0.1387
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.2685	0.396	0.396
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.5942	0.8832	1
Toxoplasma gondii	hypothetical protein	0.174	0.2545	0.1387
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.5942	0.8832	1
Loa Loa (eye worm)	hypothetical protein	0.4092	0.6064	0.6064
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.1267	0.1838	0.1838
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Toxoplasma gondii	hypothetical protein	0.174	0.2545	0.1387
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.1324	0.1923	0.0165
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.2685	0.396	0.3957
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.127	0.1842	0.0007
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.5942	0.8832	0.8832
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0154	0.0149
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.1267	0.1838	0.1838
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.6723	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.4674	0.6936	0.7289
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.5942	0.8832	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.2685	0.396	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.3007	0.4441	0.4441
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.1418	0.2064	0.2064
Echinococcus granulosus	p2X purinoceptor 4	0.0142	0.0154	0.0154
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.1324	0.1923	0.012
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.5942	0.8832	0.8831
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.1267	0.1838	0.1838
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.174	0.2545	0.5
Echinococcus multilocularis	p2X purinoceptor 4	0.0142	0.0154	0.0154
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.1324	0.1923	0.012
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.3397	0.5025	0.5022
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.1324	0.1923	0.012
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.6723	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.4202	0.6229	0.6278
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.1267	0.1838	0.1838
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.1267	0.1838	0.1834
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.1267	0.1838	0.1838
Schistosoma mansoni	P2X receptor subunit	0.0142	0.0154	0.0149
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.1324	0.1923	0.119
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.1418	0.2064	0.2064
Mycobacterium ulcerans	putative regulatory protein	0.174	0.2545	0.5
Loa Loa (eye worm)	hypothetical protein	0.2685	0.396	0.396
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.174	0.2545	0.5
Loa Loa (eye worm)	hypothetical protein	0.2824	0.4168	0.4168
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.5942	0.8832	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.4202	0.6229	0.6278
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.5942	0.8832	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Log 1/C (functional)	= 4.98	The logarithm of the inverse of the concentration (log 1/C) for the inhibition of E. coli MB 1428 growth by 80%	ChEMBL.	3276891
Log 1/C (functional)	= 5.93	The logarithm of the inverse of the concentration (log 1/C) for the inhibition of Escherichia coli 1515 (E. coli) growth by 80%	ChEMBL.	3276891
Log 1/C (functional)	= 4.98	The logarithm of the inverse of the concentration (log 1/C) for the inhibition of E. coli MB 1428 growth by 80%	ChEMBL.	3276891
Log 1/C (functional)	= 5.93	The logarithm of the inverse of the concentration (log 1/C) for the inhibition of Escherichia coli 1515 (E. coli) growth by 80%	ChEMBL.	3276891
Log 1/Ki app (binding)	= 9.01	Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase	ChEMBL.	3276891

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: CHEMBL332237
PubChem: 463111

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 213184