TDR Targets

Basic information

Technical information

TDR Targets ID: 501904
Name: 2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-amin e
MW: 227.222 | Formula: C11H9N5O
H donors: 1 H acceptors: 3 LogP: 0.92 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cc(nc(n1)c1ccco1)n1cccn1
InChi: 1S/C11H9N5O/c12-9-7-10(16-5-2-4-13-16)15-11(14-9)8-3-1-6-17-8/h1-7H,(H2,12,14,15)
InChiKey: SSPIGFDAVQVRCH-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

2-(2-furyl)-6-pyrazol-1-yl-pyrimidin-4-amine
2-(2-furyl)-6-(1-pyrazolyl)-4-pyrimidinamine
2-(furan-2-yl)-6-pyrazol-1-yl-pyrimidin-4-amine
[2-(2-furyl)-6-pyrazol-1-yl-pyrimidin-4-yl]amine
2-furan-2-yl-6-pyrazol-1-ylpyrimidin-4-amine
2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
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	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %
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
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0027	0.148	0.148
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0112	0.0112
Mycobacterium ulcerans	carboxylesterase, LipT	0.0027	0.148	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0006	0.0112	0.0112
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0008	0.026	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.2807	0.2726
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.2807	0.2726
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Echinococcus granulosus	GPCR family 2	0.0015	0.0715	0.061
Loa Loa (eye worm)	cytochrome P450 family protein	0.0008	0.026	0.015
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0161	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.1839	0.1746
Echinococcus multilocularis	acetylcholinesterase	0.0161	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0027	0.148	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Brugia malayi	Cytochrome P450 family protein	0.0008	0.026	0.015
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0027	0.148	0.1383
Leishmania major	cytochrome p450-like protein	0.0008	0.026	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0715	0.061
Schistosoma mansoni	cpg binding protein	0.0029	0.161	0.161
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0006	0.0112	0.0112
Schistosoma mansoni	hypothetical protein	0.0006	0.0112	0.0112
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.3486	0.3486
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0715	0.061
Schistosoma mansoni	gliotactin	0.0027	0.148	0.148
Schistosoma mansoni	acetylcholinesterase	0.0027	0.148	0.148
Echinococcus granulosus	carboxylesterase 5A	0.0161	1	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0715	0.0715
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	cpg binding protein	0.0029	0.161	0.161
Brugia malayi	CXXC zinc finger family protein	0.0028	0.151	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0112	0.0112
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0185	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Onchocerca volvulus		0.0027	0.148	0.9783
Schistosoma mansoni	growth hormone secretagogue receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Schistosoma mansoni	amine GPCR	0.0006	0.0112	0.0112
Echinococcus granulosus	acetylcholinesterase	0.0161	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0008	0.026	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0027	0.148	0.1383
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.148	0.148
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0715	0.061
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0293	0.0183
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0286	0.0176
Brugia malayi	Carboxylesterase family protein	0.0027	0.148	0.1383
Echinococcus granulosus	para nitrobenzyl esterase	0.0027	0.148	0.1383
Leishmania major	cytochrome p450-like protein	0.0008	0.026	0.5
Brugia malayi	Cytochrome P450 family protein	0.0008	0.026	0.015
Loa Loa (eye worm)	carboxylesterase	0.0027	0.148	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0161	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0161	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0715	0.061
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0027	0.148	0.1383
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.148	0.148
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0008	0.026	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0293	0.0183
Trypanosoma cruzi	cytochrome P450, putative	0.0008	0.026	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0112	0.0112
Trichomonas vaginalis	spcc417.12 protein, putative	0.0027	0.148	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0008	0.026	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Brugia malayi	cytochrome P450	0.0008	0.026	0.015
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0715	0.061
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Schistosoma mansoni	cytochrome P450	0.0008	0.026	0.026
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0112	0.0112
Echinococcus multilocularis		0.0008	0.026	0.015
Brugia malayi	Carboxylesterase family protein	0.0027	0.148	0.1383
Loa Loa (eye worm)	cytochrome P450	0.0008	0.026	0.015
Leishmania major	cytochrome p450-like protein	0.0008	0.026	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0008	0.026	0.015
Schistosoma mansoni	opsin-like receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Schistosoma mansoni	amine GPCR	0.0006	0.0112	0.0112
Echinococcus granulosus	neuroligin	0.0027	0.148	0.1383
Echinococcus multilocularis	cpg binding protein	0.0029	0.161	0.1515
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0112	0.0112
Echinococcus granulosus	cpg binding protein	0.0029	0.161	0.1515
Echinococcus granulosus	acetylcholinesterase	0.0161	1	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.151	0.1414
Schistosoma mansoni	hypothetical protein	0.0015	0.0715	0.0715
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0008	0.026	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0006	0.0112	0.0112
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.3087	1
Schistosoma mansoni	opsin-like receptor	0.0006	0.0112	0.0112
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0027	0.148	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0112	0.0112
Loa Loa (eye worm)	acetylcholinesterase 1	0.0161	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0715	0.061
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0293	0.0183
Echinococcus granulosus	BC026374 protein S09 family	0.0027	0.148	0.1383
Schistosoma mansoni	amine GPCR	0.0006	0.0112	0.0112
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.2807	0.2726
Schistosoma mansoni	adenoreceptor	0.0006	0.0112	0.0112
Loa Loa (eye worm)	carboxylesterase	0.0027	0.148	0.1383
Loa Loa (eye worm)	CYP4Cod1	0.0008	0.026	0.015
Echinococcus granulosus	cytochrome P450 2K1	0.0008	0.026	0.015
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0006	0.0112	0.0112
Loa Loa (eye worm)	carboxylesterase	0.0161	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0027	0.148	1
Schistosoma mansoni	hypothetical protein	0.0006	0.0112	0.0112
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0112	0.0112
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0027	0.148	1
Brugia malayi	Cytochrome P450 family protein	0.0008	0.026	0.015
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0112	0.0112
Echinococcus multilocularis	carboxylesterase 5A	0.0161	1	1
Schistosoma mansoni	hypothetical protein	0.0006	0.0112	0.0112
Onchocerca volvulus		0.0027	0.148	0.9783
Onchocerca volvulus		0.0027	0.148	0.9783
Loa Loa (eye worm)	hypothetical protein	0.0048	0.2807	0.2726
Brugia malayi	Carboxylesterase family protein	0.0161	1	1
Echinococcus multilocularis	neuroligin	0.0027	0.148	0.1383
Schistosoma mansoni	hypothetical protein	0.0015	0.0715	0.0715
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0715	0.061
Brugia malayi	Carboxylesterase family protein	0.0027	0.148	0.1383
Schistosoma mansoni	hypothetical protein	0.0015	0.0715	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0027	0.148	0.1383
Schistosoma mansoni	opsin-like receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	hypothetical protein	0.0006	0.0112	0.0112
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0112	0.0112
Onchocerca volvulus		0.0028	0.151	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0008	0.026	0.015
Schistosoma mansoni	amine GPCR	0.0006	0.0112	0.0112
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0185	0.0074
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0006	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0715	0.061
Brugia malayi	Carboxylesterase family protein	0.0027	0.148	0.1383
Brugia malayi	hypothetical protein	0.0027	0.148	0.1383
Trypanosoma brucei	cytochrome P450, putative	0.0008	0.026	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0715	0.061
Schistosoma mansoni	cpg binding protein	0.0028	0.151	0.151
Trypanosoma cruzi	cytochrome P450, putative	0.0008	0.026	0.5
Schistosoma mansoni	hypothetical protein	0.0008	0.026	0.026
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.148	0.148
Schistosoma mansoni	myosin xvIII	0.0006	0.0112	0.0112
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0185	0.0074
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0008	0.026	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0027	0.148	0.1383
Mycobacterium leprae	putative cytochrome p450	0.0008	0.026	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0006	0.0112	0.0112
Echinococcus multilocularis	acetylcholinesterase	0.0161	1	1
Schistosoma mansoni	amine GPCR	0.0006	0.0112	0.0112
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0185	0.0074
Onchocerca volvulus		0.0027	0.148	0.9783
Schistosoma mansoni	hypothetical protein	0.0033	0.1839	0.1839
Schistosoma mansoni	BC026374 protein (S09 family)	0.0027	0.148	0.148
Onchocerca volvulus		0.0027	0.148	0.9783
Schistosoma mansoni	histamine h1 receptor	0.0006	0.0112	0.0112
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0112	0.0112
Brugia malayi	Cytochrome P450 family protein	0.0008	0.026	0.015
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1839	0.1746

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 73 ml/min.kg	Metabolic stability assessed as intrinsic clearance in human liver microsomes	ChEMBL.	18189346
Ki (binding)	= 2.9 nM	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells	ChEMBL.	18189346
Ki (binding)	= 2.9 nM	Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells	ChEMBL.	18189346
Ki (binding)	= 56 nM	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293 cells	ChEMBL.	18189346
Ki (binding)	= 56 nM	Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in HEK293 cells	ChEMBL.	18189346
Ratio Ki (binding)	= 20	Selectivity for human adenosine A2A receptor over human adenosine A1 receptor	ChEMBL.	18189346
Solubility	= 0.08 mg/ml	Solubility in PBS at pH 7.4	ChEMBL.	18189346

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: CHEMBL399529
PubChem: 11424684

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 501904