TDR Targets

Basic information

Technical information

TDR Targets ID: 993446
Name: 6-(methoxymethyl)-2-[(4-methylquinazolin-2-yl )amino]-1,4-dihydropyrimidin-4-ol
MW: 299.328 | Formula: C15H17N5O2
H donors: 3 H acceptors: 3 LogP: 0.47 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COCC1=CC(N=C(N1)Nc1nc(C)c2c(n1)cccc2)O
InChi: 1S/C15H17N5O2/c1-9-11-5-3-4-6-12(11)18-14(16-9)20-15-17-10(8-22-2)7-13(21)19-15/h3-7,13,21H,8H2,1-2H3,(H2,16,17,18,19,20)
InChiKey: NBELHAROBPZBEU-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-(methoxymethyl)-2-[(4-methyl-2-quinazolinyl)amino]-1,4-dihydropyrimidin-4-ol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A2a receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	follicle stimulating hormone receptor	adenosine A2a receptor	412 aa	336 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	jmjC domain containing protein	0.0036	0.0145	0.0145
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.173	0.2266
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.173	0.2266
Schistosoma mansoni	hypothetical protein	0.0066	0.0848	0.1111
Schistosoma mansoni	hypothetical protein	0.0066	0.0848	0.1111
Schistosoma mansoni	hypothetical protein	0.0355	0.7633	1
Loa Loa (eye worm)	hypothetical protein	0.0142	0.2635	0.2635
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.173	0.173
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0848	0.1111
Plasmodium falciparum	phd finger protein, putative	0.0029	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.173	0.2266
Brugia malayi	Ets-domain containing protein	0.0074	0.1046	0.1046
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.173	0.2266
Loa Loa (eye worm)	hypothetical protein	0.0456	1	1
Echinococcus granulosus	GA binding protein alpha chain	0.0074	0.1046	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0848	0.0848
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0848	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0494	0.0494
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0848	0.1111
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.1107	0.1451
Schistosoma mansoni	hypothetical protein	0.0142	0.2635	0.3452
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0848	0.1111
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0848	0.1111
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0271	0.0355
Echinococcus multilocularis	GA binding protein alpha chain	0.0074	0.1046	0.1371
Schistosoma mansoni	gabp alpha	0.0074	0.1046	0.1371
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0848	0.0848
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0271	0.0355
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0142	0.2635	0.2635
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0074	0.1046	0.1046
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.1573	0.206
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0848	0.0848
Plasmodium vivax	hypothetical protein, conserved	0.0029	0	0.5
Echinococcus granulosus	GPCR family 2	0.0066	0.0848	0.1111
Schistosoma mansoni	hypothetical protein	0.0355	0.7633	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0736	0.0736
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0145	0.0191
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0145	0.0145
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0848	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4174	0.4174
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.173	0.2266
Echinococcus granulosus	geminin	0.0355	0.7633	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0207	0.4174	0.4174
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.173	0.173
Giardia lamblia	PHD finger protein 15	0.0029	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.173	0.2266
Brugia malayi	Fli-1 protein	0.0225	0.4584	0.4584
Schistosoma mansoni	ets-related	0.0225	0.4584	0.6005
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0145	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0794	0.0794
Brugia malayi	jmjC domain containing protein	0.0096	0.1573	0.1573
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0207	0.4174	0.4174
Schistosoma mansoni	hypothetical protein	0.0066	0.0848	0.1111
Brugia malayi	Ets-domain containing protein	0.0074	0.1046	0.1046
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0207	0.4174	0.4174
Onchocerca volvulus	Alhambra homolog	0.0029	0	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.1573	0.206
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.173	0.2266
Echinococcus multilocularis	geminin	0.0355	0.7633	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0848	0.1111
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0145	0.0191
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0145	0.0191
Loa Loa (eye worm)	fli-1 protein	0.0225	0.4584	0.4584

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6.2	Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter	ChEMBL.	22563707

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: CHEMBL2070727

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 993446