TDR Targets

Basic information

Technical information

TDR Targets ID: 560496
Name: 5-(1-adamantyl)-6-methyl-pyrimidine-2,4-diami ne; ethanesulfonic acid
MW: 368.494 | Formula: C17H28N4O3S
H donors: 3 H acceptors: 5 LogP: 2.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(C)c(c(n1)N)C12CC3CC(C2)CC(C1)C3.CCS(=O)(=O)O
InChi: 1S/C15H22N4.C2H6O3S/c1-8-12(13(16)19-14(17)18-8)15-5-9-2-10(6-15)4-11(3-9)7-15;1-2-6(3,4)5/h9-11H,2-7H2,1H3,(H4,16,17,18,19);2H2,1H3,(H,3,4,5)
InChiKey: SSCSUZHOFNPPSA-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-(1-adamantyl)-6-methylpyrimidine-2,4-diamine; ethanesulfonic acid
[5-(1-adamantyl)-2-amino-6-methyl-pyrimidin-4-yl]amine; esylic acid
2,4-diamino-5-adamantyl-6-methyl-pyrimidine ethanesulfonate
[5-(1-adamantyl)-2-amino-6-methyl-pyrimidin-4-yl]amine; ethanesulfonic acid
35507-78-9
Pyrimidine, 5-(1-adamantyl)-2,4-diamino-6-methyl-, ethylsulfonate
2,4-Diamino-5-adamantyl-6-methylpyrimidine, ethanesulfonate
5-(1-Adamantyl)-2,4-diamino-6-methylpyrimidine ethylsulfonate
DAMP-ES

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
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.8334	0.8334
Loa Loa (eye worm)	hypothetical protein	0.0155	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.1056	0.0928
Echinococcus multilocularis	lamin dm0	0.0028	0.1056	0.1023
Schistosoma mansoni	intermediate filament proteins	0.0028	0.1056	0.0757
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1709	0.1679
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0459	0.5
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0459	0.0323
Echinococcus granulosus	lamin	0.0028	0.1056	0.1023
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0459	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0459	0.5
Entamoeba histolytica	hypothetical protein	0.0024	0.0794	0.2675
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0141	0.0141
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0794	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.8334	1
Brugia malayi	hypothetical protein	0.0037	0.1709	0.1591
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0459	0.0425
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.516	0.5143
Schistosoma mansoni	hypothetical protein	0.0037	0.1709	0.1587
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.1056	0.1056
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0794	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.516	0.5969
Mycobacterium leprae	conserved hypothetical protein	0.0024	0.0794	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1056	0.1056
Echinococcus multilocularis	muscleblind protein	0.0155	1	1
Echinococcus multilocularis	lamin	0.0028	0.1056	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0027	0.102	0.102
Schistosoma mansoni	lamin	0.0028	0.1056	0.0757
Loa Loa (eye worm)	RNA binding protein	0.0131	0.8334	0.8334
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0024	0.0794	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0036	0.0036
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0024	0.0794	1
Leishmania major	phosphopantetheinyl transferase-like protein	0.0024	0.0794	1
Brugia malayi	RNA binding protein	0.0131	0.8334	0.8311
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0024	0.0794	1
Echinococcus multilocularis	muscleblind protein 1	0.0155	1	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.516	0.5091
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.8334	0.8334
Entamoeba histolytica	hypothetical protein	0.0037	0.1709	1
Brugia malayi	TAR-binding protein	0.0131	0.8334	0.8311
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.516	0.5143
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0794	1
Entamoeba histolytica	hypothetical protein	0.0037	0.1709	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1709	0.1587
Echinococcus granulosus	tar DNA binding protein	0.0131	0.8334	0.8328
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.8334	1
Echinococcus granulosus	intermediate filament protein	0.0028	0.1056	0.1023
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0459	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1709	0.1679
Echinococcus granulosus	lamin dm0	0.0028	0.1056	0.1023
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0794	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0024	0.0794	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0794	0.5
Entamoeba histolytica	hypothetical protein	0.0037	0.1709	1
Onchocerca volvulus		0.0086	0.516	1
Echinococcus granulosus	muscleblind protein	0.0155	1	1
Echinococcus multilocularis	musashi	0.0028	0.1056	0.1023
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.8334	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.8334	1
Entamoeba histolytica	hypothetical protein	0.0037	0.1709	1
Brugia malayi	intermediate filament protein	0.0028	0.1056	0.0928
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0459	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0459	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0155	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.8334	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.1056	0.1056
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0794	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0459	0.0459
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0024	0.0794	1
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.8334	0.8311
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.8334	0.8328
Loa Loa (eye worm)	hypothetical protein	0.0086	0.516	0.516
Schistosoma mansoni	lamin	0.0028	0.1056	0.0757

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 CAS
PubChem: 64306

Bibliographic References

No literature references available for this target.

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Detailed information for compound 560496