TDR Targets

Basic information

Technical information

TDR Targets ID: 994389
Name: 4-[[5-fluoro-2-[(4-hydroxyphenyl)amino]pyrimi din-4-yl]amino]phenol
MW: 312.298 | Formula: C16H13FN4O2
H donors: 4 H acceptors: 4 LogP: 3.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)O)F
InChi: 1S/C16H13FN4O2/c17-14-9-18-16(20-11-3-7-13(23)8-4-11)21-15(14)19-10-1-5-12(22)6-2-10/h1-9,22-23H,(H2,18,19,20,21)
InChiKey: VRCCTIYIKPFOBO-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

4-[[5-fluoro-2-[(4-hydroxyphenyl)amino]-4-pyrimidinyl]amino]phenol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aurora kinase A	Starlite/ChEMBL	References
Homo sapiens	spleen tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania major	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium falciparum	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma congolense	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	tyrosine protein kinase shark	Get druggable targets OG5_131855	All targets in OG5_131855
Plasmodium knowlesi	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium vivax	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	Serine/threonine-protein kinase 12, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase , putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Neospora caninum	hypothetical protein	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131855	All targets in OG5_131855
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Toxoplasma gondii	aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08253 non-specific protein-tyrosine kinase [EC2.7.10.2], putative	Get druggable targets OG5_131855	All targets in OG5_131855
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus multilocularis	aurora kinase A	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania donovani	Aurora I-related kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine kinase 12	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K05855 spleen tyrosine kinase, putative	Get druggable targets OG5_131855	All targets in OG5_131855
Plasmodium berghei	serine/threonine protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Giardia lamblia	Aurora kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania braziliensis	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma cruzi	aurora B kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Plasmodium yoelii	putative protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma japonicum	ko:K08850 aurora kinase, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Candida albicans	likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu	Get druggable targets OG5_127024	All targets in OG5_127024
Cryptosporidium hominis	protein kinase (EC 2.7.1.-) p46XlEg22	Get druggable targets OG5_127024	All targets in OG5_127024
Brugia malayi	serine/threonine-protein kinase 6	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Entamoeba histolytica	serine/threonine protein kinase 6, putative	Get druggable targets OG5_127024	All targets in OG5_127024
Echinococcus granulosus	tyrosine protein kinase shark	Get druggable targets OG5_131855	All targets in OG5_131855
Echinococcus multilocularis	serine:threonine protein kinase 12 B	Get druggable targets OG5_127024	All targets in OG5_127024
Trypanosoma brucei	aurora B kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Loa Loa (eye worm)	AUR protein kinase	Get druggable targets OG5_127024	All targets in OG5_127024
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131855	All targets in OG5_131855
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	Get druggable targets OG5_127024	All targets in OG5_127024

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
Echinococcus granulosus	tyrosine protein kinase Src42A	0.01	0.0326	0.0326
Entamoeba histolytica	protein kinase, putative	0.0068	0.0042	1
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0084	0.0186	0.0186
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0068	0.0042	1
Onchocerca volvulus		0.0063	0	0.5
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0068	0.0042	0.0042
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0042	1
Onchocerca volvulus		0.0063	0	0.5
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.025	0.1657	0.1657
Entamoeba histolytica	protein kinase, putative	0.0067	0.0031	0.7301
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.01	0.0326	0.0326
Trypanosoma cruzi	aurora B kinase, putative	0.0068	0.0042	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.01	0.0326	0.0326
Onchocerca volvulus		0.0063	0	0.5
Entamoeba histolytica	protein kinase, putative	0.0068	0.0042	1
Brugia malayi	serine/threonine-protein kinase 6	0.0068	0.0042	0.0042
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0101	0.0331	0.0331
Onchocerca volvulus		0.0063	0	0.5
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.025	0.1657	0.1657
Onchocerca volvulus		0.0063	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.025	0.1657	0.1657
Toxoplasma gondii	aurora kinase	0.0068	0.0042	0.5
Schistosoma mansoni	protein kinase	0.0068	0.0042	0.0042
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0042	0.0042
Echinococcus granulosus	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Onchocerca volvulus		0.0063	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0084	0.0186	0.0186
Onchocerca volvulus	4.1 G protein, putative homolog	0.0063	0	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0555	0.4348	0.4348
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0042	0.0042
Leishmania major	protein kinase, putative	0.0068	0.0042	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1193	1	1
Onchocerca volvulus		0.0063	0	0.5
Brugia malayi	serine/threonine kinase 12	0.0068	0.0042	0.0042
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0089	0.0229	0.0229
Trypanosoma brucei	aurora B kinase	0.0068	0.0042	1
Brugia malayi	SRC-1	0.01	0.0326	0.0326
Schistosoma mansoni	tyrosine kinase	0.01	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0194	0.1157	0.1157
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0194	0.1157	0.1157
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0068	0.0042	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Onchocerca volvulus		0.0063	0	0.5
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0068	0.0042	0.5
Onchocerca volvulus		0.0063	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0261	0.1752	0.1752
Loa Loa (eye worm)	hypothetical protein	0.009	0.0238	0.0238
Brugia malayi	Tyrosine-protein kinase abl-1	0.0138	0.066	0.066
Echinococcus multilocularis	aurora kinase A	0.0068	0.0042	0.0042
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0194	0.1157	0.1157
Schistosoma mansoni	tyrosine kinase	0.01	0.0326	0.0326
Schistosoma mansoni	tyrosine kinase	0.0284	0.195	0.195
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.01	0.0326	0.0326
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0042	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0194	0.1157	0.1157
Onchocerca volvulus		0.0063	0	0.5
Onchocerca volvulus		0.0063	0	0.5
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0194	0.1157	0.1157
Echinococcus granulosus	tyrosine protein kinase HCK	0.0067	0.0031	0.0031
Entamoeba histolytica	protein kinase domain containing protein	0.0068	0.0042	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.01	0.0326	0.0326
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0042	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0089	0.0229	0.0229
Giardia lamblia	Aurora kinase	0.0068	0.0042	1
Loa Loa (eye worm)	SRC-1	0.01	0.0326	0.0326
Onchocerca volvulus		0.0063	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0089	0.0229	0.0229
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0089	0.0229	0.0229
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0042	0.0042
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0089	0.0229	0.0229
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0194	0.1157	0.1157
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0555	0.4348	0.4348
Onchocerca volvulus		0.0063	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0124	0.0533	0.0533
Onchocerca volvulus		0.0063	0	0.5
Brugia malayi	protein-tyrosine kinase	0.0089	0.0229	0.0229
Schistosoma mansoni	tyrosine kinase	0.0228	0.1458	0.1458
Onchocerca volvulus		0.0063	0	0.5
Echinococcus multilocularis	tyrosine protein kinase shark	0.0284	0.195	0.195
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0089	0.0229	0.0229
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0194	0.1157	0.1157
Echinococcus granulosus	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1193	1	1
Echinococcus granulosus	tyrosine kinase	0.0089	0.0229	0.0229
Echinococcus granulosus	tyrosine protein kinase shark	0.0284	0.195	0.195
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1193	1	1
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0068	0.0042	0.0042
Entamoeba histolytica	protein kinase , putative	0.0068	0.0042	1
Echinococcus granulosus	aurora kinase A	0.0068	0.0042	0.0042
Trichomonas vaginalis	AGC family protein kinase	0.0068	0.0042	1
Loa Loa (eye worm)	AUR protein kinase	0.0068	0.0042	0.0042
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.01	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0067	0.0031	0.0031
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.01	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0124	0.0533	0.0533
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1193	1	1
Onchocerca volvulus		0.0063	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.01	0.0326	0.0326
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0068	0.0042	1
Loa Loa (eye worm)	TK protein kinase	0.0067	0.0031	0.0031
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.01	0.0326	0.0326
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.01	0.0326	0.0326
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0555	0.4348	0.4348
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0068	0.0042	1
Brugia malayi	serine/threonine protein kinase 6	0.0068	0.0042	0.0042
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.01	0.0326	0.0326
Onchocerca volvulus		0.0063	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 3.4 uM	Inhibition of SYK in human mast cell cultures assessed as reduction in IgE-induced FCepsilonR1 mediated degranulation by tryptase release assay	ChEMBL.	25872982
IC50 (binding)	= 0.03 uM	Inhibition of N-terminal flag-tagged Aurora A expressed in Escherichia coli BL21-DE3 by ELISA	ChEMBL.	19402633
Inhibition (binding)		Inhibition of SYK in human mast cell cultures assessed as reduction in ionomycin-induced calcium mobilization mediated degranulation by tryptase release assay	ChEMBL.	25872982

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: CHEMBL489736

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 994389