TDR Targets

Basic information

Technical information

TDR Targets ID: 1510633
Name: 6-(2-fluorophenoxy)-8-methyl-2-(oxan-4-ylamin o)pyrido[6,5-d]pyrimidin-7-one
MW: 370.378 | Formula: C19H19FN4O3
H donors: 1 H acceptors: 3 LogP: 2.69 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1Oc1cc2cnc(nc2n(c1=O)C)NC1CCOCC1
InChi: 1S/C19H19FN4O3/c1-24-17-12(11-21-19(23-17)22-13-6-8-26-9-7-13)10-16(18(24)25)27-15-5-3-2-4-14(15)20/h2-5,10-11,13H,6-9H2,1H3,(H,21,22,23)
InChiKey: VJXNYZFUSWOVCO-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-(2-fluorophenoxy)-8-methyl-2-(tetrahydropyran-4-ylamino)pyrido[6,5-d]pyrimidin-7-one
6-(2-fluorophenoxy)-8-methyl-2-(4-tetrahydropyranylamino)-7-pyrido[6,5-d]pyrimidinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 14	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	ferritin	0.0008	0.003	0.003
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0008	0.003	0.5
Brugia malayi	CXXC zinc finger family protein	0.003	0.0677	0.0629
Echinococcus multilocularis	geminin	0.0291	0.8644	0.8644
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0338	0.0289
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0158	0.4599	0.4207
Schistosoma mansoni	ap endonuclease	0.0018	0.0338	0.0338
Plasmodium falciparum	ataxin-2 like protein, putative	0.002	0.0397	1
Echinococcus granulosus	geminin	0.0291	0.8644	0.8644
Schistosoma mansoni	nuclear hormone receptor	0.0158	0.4599	0.4599
Schistosoma mansoni	ferritin light chain	0.0008	0.003	0.003
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0158	0.4599	0.4599
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5177	0.5151
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0177	0.5177	0.5177
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1686	0.1686
Echinococcus multilocularis	nuclear receptor nhr 48	0.0158	0.4599	0.4599
Brugia malayi	nuclear hormone receptor	0.0158	0.4599	0.4571
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.4413	1
Schistosoma mansoni	ferritin	0.0008	0.003	0.003
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0177	0.5177	0.5177
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0338	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0158	0.4599	0.4599
Echinococcus granulosus	thyroid hormone receptor alpha	0.0158	0.4599	0.4599
Onchocerca volvulus		0.0158	0.4599	0.4207
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0158	0.4599	0.4599
Plasmodium falciparum	ataxin-2 like protein, putative	0.002	0.0397	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Echinococcus granulosus	expressed protein	0.0008	0.003	0.003
Trypanosoma brucei	PAB1-binding protein , putative	0.002	0.0397	0.0144
Schistosoma mansoni	hypothetical protein	0.0291	0.8644	0.8644
Brugia malayi	nuclear receptor RXR	0.0158	0.4599	0.4571
Schistosoma mansoni	cpg binding protein	0.0031	0.0728	0.0728
Toxoplasma gondii	LsmAD domain-containing protein	0.002	0.0397	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.4413	0.4413
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.4413	0.4413
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0338	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.4413	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0338	0.5
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.4413	0.4413
Brugia malayi	ecdysone receptor	0.0158	0.4599	0.4571
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0177	0.5177	0.5151
Schistosoma mansoni	apoferritin-2	0.0008	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5177	0.5151
Schistosoma mansoni	nuclear receptor nhr-48	0.0158	0.4599	0.4599
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0177	0.5177	0.5177
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0158	0.4599	0.4599
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0677	0.0625
Brugia malayi	tailless protein	0.0158	0.4599	0.4571
Schistosoma mansoni	ap endonuclease	0.0018	0.0338	0.0338
Brugia malayi	hypothetical protein	0.0158	0.4599	0.4571
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Brugia malayi	nuclear receptor RXR	0.0177	0.5177	0.5152
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Brugia malayi	P38 map kinase family protein 2	0.0152	0.4413	0.4384
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0338	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0338	0.5
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5177	0.5151
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0338	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0158	0.4599	0.4599
Schistosoma mansoni	cpg binding protein	0.003	0.0677	0.0677
Loa Loa (eye worm)	nuclear hormone receptor	0.0158	0.4599	0.4569
Brugia malayi	conserved hypotetical protein	0.0158	0.4599	0.4571
Echinococcus granulosus	ferritin	0.0008	0.003	0.003
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.4413	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.4413	1
Brugia malayi	hypothetical protein	0.0177	0.5177	0.5152
Brugia malayi	hypothetical protein	0.0013	0.0177	0.0126
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0158	0.4599	0.4599
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Schistosoma mansoni	cpg binding protein	0.0031	0.0728	0.0728
Schistosoma mansoni	ferritin	0.0008	0.003	0.003
Echinococcus granulosus	cpg binding protein	0.0031	0.0728	0.0728
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0338	0.0338
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0158	0.4599	0.4207
Echinococcus multilocularis	ferritin	0.0008	0.003	0.003
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0338	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0177	0.5177	0.5152
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0338	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5177	0.5151
Brugia malayi	hypothetical protein	0.002	0.0397	0.0347
Echinococcus multilocularis	expressed protein	0.0008	0.003	0.003
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.4413	0.4413
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.4413	0.4382
Schistosoma mansoni	nuclear hormone receptor	0.0158	0.4599	0.4599
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0158	0.4599	0.4571
Trypanosoma cruzi	PAB1-binding protein , putative	0.002	0.0397	0.0144
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0158	0.4599	0.4599
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0009	0.0055	0.0055
Brugia malayi	nuclear receptor NHR-88	0.0158	0.4599	0.4571
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0158	0.4599	0.4599
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Brugia malayi	Nuclear hormone receptor-like 1	0.0177	0.5177	0.5152
Schistosoma mansoni	apoferritin-2	0.0008	0.003	0.003
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0158	0.4599	0.4599
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1482	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0158	0.4599	0.4599
Schistosoma mansoni	nuclear receptor	0.0158	0.4599	0.4599
Brugia malayi	nuclear receptor NHR-67	0.0158	0.4599	0.4571
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0158	0.4599	0.4599
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0055	0.0055
Schistosoma mansoni	hypothetical protein	0.0291	0.8644	0.8644
Schistosoma mansoni	nuclear receptor	0.0158	0.4599	0.4599
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0158	0.4599	0.4571
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0177	0.5177	0.5177
Onchocerca volvulus		0.0158	0.4599	0.4207
Brugia malayi	Nuclear hormone receptor E75	0.0158	0.4599	0.4571
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0158	0.4599	0.4569
Plasmodium vivax	ataxin-2 like protein, putative	0.002	0.0397	1
Schistosoma mansoni	ferritin light chain	0.0008	0.003	0.003
Loa Loa (eye worm)	DR-78	0.0158	0.4599	0.4569
Brugia malayi	hypothetical protein	0.0177	0.5177	0.5152
Brugia malayi	orphan nuclear receptor NR2E1	0.0158	0.4599	0.4571
Brugia malayi	hypothetical protein	0.0158	0.4599	0.4571
Leishmania major	hypothetical protein, conserved	0.002	0.0397	0.0144
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0158	0.4599	0.4569
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Trypanosoma cruzi	PAB1-binding protein , putative	0.002	0.0397	0.0144
Brugia malayi	Nuclear hormone receptor E75	0.0158	0.4599	0.4571
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0158	0.4599	0.4599
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.4413	0.4413
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569
Schistosoma mansoni	hypothetical protein	0.0009	0.0055	0.0055
Schistosoma mansoni	ferritin	0.0008	0.003	0.003
Echinococcus multilocularis	cpg binding protein	0.0031	0.0728	0.0728
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0009	0.0055	0.0055
Schistosoma mansoni	zinc finger protein	0.0158	0.4599	0.4599
Loa Loa (eye worm)	hypothetical protein	0.002	0.0397	0.0344
Brugia malayi	nuclear hormone receptor family member odr-7	0.0158	0.4599	0.4571
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.4413	0.4413
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5177	0.5151
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0338	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.4599	0.4569

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 15 nM	Inhibition of human recombinant p38alpha assessed as incorporation of 33P from gamma-[33P]ATP into myelin basic protein after 30 mins by scintillation counting	ChEMBL.	21375264
IC50 (functional)	= 64.8 nM	Inhibition of TNFalpha-induced IL1-beta production in human whole blood after 2 to 5 hrs by ELISA	ChEMBL.	21375264

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21375264

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: CHEMBL1766493

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 1510633