TDR Targets

Basic information

Technical information

TDR Targets ID: 341932
Name: N-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]p yrimidin-5-yl]phenyl]-3-fluorobenzamide
MW: 454.452 | Formula: C26H19FN4O3
H donors: 2 H acceptors: 3 LogP: 4.79 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1oc2c(c1c1ccc(cc1)NC(=O)c1cccc(c1)F)c(N)ncn2
InChi: 1S/C26H19FN4O3/c1-33-20-11-7-16(8-12-20)23-21(22-24(28)29-14-30-26(22)34-23)15-5-9-19(10-6-15)31-25(32)17-3-2-4-18(27)13-17/h2-14H,1H3,(H,31,32)(H2,28,29,30)
InChiKey: XWEHFJLTMSGVIE-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

N-[4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-fluoro-benzamide
N-[4-[4-amino-6-(4-methoxyphenyl)-5-furo[2,3-d]pyrimidinyl]phenyl]-3-fluorobenzamide
N-[4-[4-azanyl-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl]-3-fluoro-benzamide
N-[4-[4-amino-6-(4-methoxyphenyl)furo[5,4-d]pyrimidin-5-yl]phenyl]-3-fluorobenzamide
N-[4-[4-amino-6-(4-methoxyphenyl)furo[5,4-d]pyrimidin-5-yl]phenyl]-3-fluoro-benzamide
N-[4-[4-amino-6-(4-methoxyphenyl)-5-furo[5,4-d]pyrimidinyl]phenyl]-3-fluorobenzamide
furo[2,3-d]pyrimidine deriv. 7h

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TEK tyrosine kinase, endothelial	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1925	0.1915
Brugia malayi	Importin beta-1 subunit	0.0028	0.0786	0.3055
Echinococcus granulosus	geminin	0.0165	0.543	0.5424
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0534	0.0521
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0786	0.9005
Loa Loa (eye worm)	RecQ helicase	0.0023	0.0626	0.0614
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0534	0.206
Entamoeba histolytica	Ran family GTPase	0.0021	0.0534	0.5229
Schistosoma mansoni	importin beta-1	0.0028	0.0786	0.0773
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0605	0.9663
Schistosoma mansoni	hypothetical protein	0.0011	0.0207	0.0194
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0786	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Loa Loa (eye worm)	hypothetical protein	0.0118	0.3824	0.3816
Loa Loa (eye worm)	hypothetical protein	0.001	0.016	0.0147
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0471	0.3432
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.016	0.2573
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.1312	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0605	0.5927
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0534	0.6744
Trypanosoma brucei	DNA polymerase kappa, putative	0.0006	0.0031	0.0136
Plasmodium falciparum	DNA repair protein REV1, putative	0.0006	0.0031	0.0229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0207	0.0194
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0257	0.2514
Leishmania major	GTP-binding protein, putative	0.0021	0.0534	0.401
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Trypanosoma brucei	DNA damage repair protein, putative	0.0006	0.0031	0.0136
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0471	0.7463
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0666	0.0653
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0666	0.8448
Trypanosoma brucei	DNA polymerase kappa, putative	0.0006	0.0031	0.0136
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.016	0.0147
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0534	0.401
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0471	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1021	0.1009
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0257	0.1762
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0872	0.6568
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0471	0.1809
Schistosoma mansoni	ran	0.0021	0.0534	0.0521
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0534	0.6744
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0786	0.5947
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.016	0.0147
Brugia malayi	polk-prov protein	0.0006	0.0031	0.007
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0666	0.4955
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1925	0.1915
Schistosoma mansoni	hypothetical protein	0.0165	0.543	0.5424
Leishmania major	hypothetical protein, conserved	0.0025	0.0666	0.5024
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0534	0.6122
Trichomonas vaginalis	ran, putative	0.0021	0.0534	0.8499
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1925	0.1915
Leishmania major	DNA damage repair protein, putative	0.0006	0.0031	0.0136
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0471	0.0458
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1925	0.1915
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0257	0.1875
Plasmodium falciparum	importin beta, putative	0.0028	0.0786	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0605	0.9663
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.016	0.0582
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0207	0.0194
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0471	0.4607
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0786	0.5947
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.016	0.0147
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0786	0.0773
Schistosoma mansoni	DNA polymerase eta	0.0044	0.1312	0.13
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.1312	1
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0006	0.0031	0.0355
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0605	0.4484
Brugia malayi	RNA, U transporter 1	0.008	0.2541	1
Entamoeba histolytica	hypothetical protein	0.0035	0.1021	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0666	0.5024
Trichomonas vaginalis	DNA helicase recq, putative	0.0023	0.0626	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1925	0.1915
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0273	0.1998
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.016	0.0147
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1925	0.1915
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0471	0.3432
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0534	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0471	0.3521
Schistosoma mansoni	hypothetical protein	0.0035	0.1021	0.1009
Schistosoma mansoni	ephrin receptor	0.0006	0.0024	0.001
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0471	0.7463
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0471	0.3521
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.0013	0.0152
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.1312	0.5137
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0605	0.9663
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0534	0.0521
Echinococcus multilocularis	bloom syndrome protein	0.0023	0.0626	0.0614
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0666	0.7631
Brugia malayi	Bloom's syndrome protein homolog	0.0023	0.0626	0.2424
Trypanosoma brucei	unspecified product	0.0013	0.0273	0.1998
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0273	0.1998
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0273	0.1998
Schistosoma mansoni	DNA polymerase IV / kappa	0.0006	0.0031	0.0018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.016	0.184
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Brugia malayi	TAR-binding protein	0.0062	0.1925	0.7563
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0471	0.0458
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Brugia malayi	hypothetical protein	0.0016	0.0371	0.1413
Entamoeba histolytica	hypothetical protein	0.0035	0.1021	1
Schistosoma mansoni	DNA helicase recq1	0.001	0.016	0.0147
Entamoeba histolytica	hypothetical protein	0.0035	0.1021	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0005	0.0013	0.0152
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1925	0.1915
Entamoeba histolytica	hypothetical protein	0.0035	0.1021	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0471	0.3521
Schistosoma mansoni	hypothetical protein	0.03	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0471	0.0458
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0257	0.3973
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0471	0.3521
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0471	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0786	0.0773
Trypanosoma brucei	unspecified product	0.0013	0.0273	0.1998
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0471	0.0458
Schistosoma mansoni	hypothetical protein	0.0165	0.543	0.5424
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0605	0.456
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.053	0.6688
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0257	0.1875
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0786	0.0773
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0666	0.4955
Brugia malayi	RNA binding protein	0.0062	0.1925	0.7563
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.016	0.1906
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0006	0.0024	0.001
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0471	0.3521
Schistosoma mansoni	ran	0.0021	0.0534	0.0521
Leishmania major	DNA polymerase eta, putative	0.0044	0.1312	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1925	0.1915
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.016	0.184
Echinococcus multilocularis	dna polymerase eta	0.0044	0.1312	0.13
Echinococcus granulosus	dna polymerase eta	0.0044	0.1312	0.13
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1021	0.1009
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.016	0.0147
Leishmania major	DNA polymerase kappa, putative	0.0006	0.0031	0.0136
Trypanosoma brucei	hypothetical protein, conserved	0.0006	0.0031	0.0136
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0471	0.8738
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0471	0.0458
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1312	0.13
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0363	0.416
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0471	0.3432
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.016	0.0582
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0459	0.0447
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0666	0.8448
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0471	0.3432
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0534	0.0521
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0666	0.8448
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0534	0.3928
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0534	0.3928
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1925	0.7563
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1021	0.1009
Echinococcus multilocularis	geminin	0.0165	0.543	0.5424
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0006	0.0024	0.001
Brugia malayi	hypothetical protein	0.0035	0.1021	0.3988
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1925	0.1915
Leishmania major	DNA polymerase eta, putative	0.0031	0.0872	0.6615
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0471	0.0458
Trypanosoma brucei	unspecified product	0.0019	0.0471	0.3521
Schistosoma mansoni	DNA helicase recq5	0.001	0.016	0.0147
Trypanosoma brucei	chrX additional, unordered contigs	0.0006	0.0031	0.0136
Echinococcus granulosus	bloom syndrome protein	0.0023	0.0626	0.0614
Trypanosoma brucei	DNA damage repair protein, putative	0.0006	0.0031	0.0136
Trichomonas vaginalis	DNA helicase recq1, putative	0.0023	0.0626	1
Echinococcus multilocularis	snurportin 1	0.03	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0031	0.0018
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0369	0.461
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0471	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0471	0.5
Brugia malayi	hypothetical protein	0.0025	0.0666	0.2581
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0006	0.0031	0.0355
Entamoeba histolytica	HEAT repeat domain containing protein	0.0005	0.0013	0.013
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1925	0.1915
Trypanosoma brucei	hypothetical protein, conserved	0.0006	0.0031	0.0136
Plasmodium vivax	DNA repair protein REV1, putative	0.0006	0.0031	0.0229
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0872	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.3	Inhibition of Tie2	ChEMBL.	17293140
IC50 (binding)	uM	Inhibitory concentration against human vascular endothelial growth factor receptor 2; Not determined	ChEMBL.	15837294
IC50 (binding)	0 uM	Inhibitory concentration against human vascular endothelial growth factor receptor 2; Not determined	ChEMBL.	15837294
IC50 (binding)	= 0.501 uM	Inhibitory concentration against human tyrosine protein kinase receptor TIE-2	ChEMBL.	15837294
IC50 (binding)	= 0.501 uM	Inhibitory concentration against human tyrosine protein kinase receptor TIE-2	ChEMBL.	15837294

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: CHEMBL372845
PubChem: 5329810

Bibliographic References

2 literature references were 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 341932