TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 332.374 | Formula: C20H17FN4
H donors: 2 H acceptors: 2 LogP: 4.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1[nH]c2c(c1)c(ncn2)N[C@@H](c1ccccc1)C
InChi: 1S/C20H17FN4/c1-13(14-5-3-2-4-6-14)24-19-17-11-18(25-20(17)23-12-22-19)15-7-9-16(21)10-8-15/h2-13H,1H3,(H2,22,23,24,25)/t13-/m1/s1
InChiKey: UFNUUMYNCMMYIR-CYBMUJFWSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	epidermal growth factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597

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
Brugia malayi	mbt repeat family protein	0.0046	0.0887	0.0989
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0098	0.219	0.219
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0014	0.0092	0.0092
Schistosoma mansoni	glutaminyl-peptide cyclotransferase-related	0.0018	0.0177	0.0179
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0887	0.09
Entamoeba histolytica	P-glycoprotein-2	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0177	0.0177
Echinococcus granulosus	NCK adaptor protein	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4458	0.4458
Onchocerca volvulus		0.0018	0.0177	0.0705
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0177	0.0279
Leishmania major	C-8 sterol isomerase-like protein	0.0371	0.8975	1
Schistosoma mansoni	tyrosine kinase	0.0059	0.1212	0.123
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0026	0.0029
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0012	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2507	0.2507
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0887	0.0887
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0014	0.0092	0.0092
Toxoplasma gondii	hypothetical protein	0.0018	0.0177	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1123	0.1123
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.103	0.103
Brugia malayi	Protein kinase domain containing protein	0.0059	0.1212	0.135
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1123	0.1537
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0012	0.0026	0.0026
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0887	0.0887
Leishmania major	hypothetical protein, conserved	0.0018	0.0177	0.0197
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0059	0.1212	0.1212
Trichomonas vaginalis	glutaminase, putative	0.0265	0.6334	1
Echinococcus granulosus	c src tyrosine kinase	0.0014	0.0092	0.0092
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.0164	0.3826	0.3883
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0177	0.0177
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0011	0	0.5
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0111	0.2507	0.2544
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.1047	0.1047
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0014	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0887	0.0887
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Toxoplasma gondii	peptidase, M28 family protein	0.0018	0.0177	1
Brugia malayi	nicalin	0.0018	0.0177	0.0197
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0026	0.0029
Onchocerca volvulus		0.0046	0.0887	0.3539
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0012	0.0026	0.0026
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1123	0.1537
Leishmania major	glutaminyl cyclase, putative	0.0018	0.0177	0.0197
Brugia malayi	Peptidase family M28 containing protein	0.0111	0.2507	0.2793
Schistosoma mansoni	glutaminase	0.0265	0.6334	0.6429
Echinococcus multilocularis	endoplasmic reticulum metallopeptidase 1	0.0018	0.0177	0.0177
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0168	0.3935	0.3935
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0177	0.0177
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0887	0.09
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0177	0.0705
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0177	0.0705
Loa Loa (eye worm)	glutaminase 2	0.0265	0.6334	0.6334
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.1123	0.114
Mycobacterium tuberculosis	Conserved protein	0.0018	0.0177	0.1574
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0887	0.0887
Loa Loa (eye worm)	glutaminase	0.0265	0.6334	0.6334
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0014	0.0092	0.0092
Plasmodium vivax	multidrug resistance protein 1, putative	0.0011	0	0.5
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0018	0.0177	0.0177
Echinococcus multilocularis	epidermal growth factor receptor	0.0098	0.219	0.219
Brugia malayi	FXNA	0.0018	0.0177	0.0197
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0014	0.0092	0.0094
Mycobacterium ulcerans	glutaminase	0.0265	0.6334	1
Schistosoma mansoni	Fxna peptidase (M28 family)	0.0018	0.0177	0.0179
Echinococcus multilocularis	c src tyrosine kinase	0.0014	0.0092	0.0092
Schistosoma mansoni	adapter molecule crk	0.0012	0.0026	0.0026
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0012	0.0026	0.0026
Schistosoma mansoni	tyrosine kinase	0.0014	0.0092	0.0094
Brugia malayi	leucyl aminopeptidase	0.0018	0.0177	0.0197
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0014	0.0092	0.0092
Schistosoma mansoni	tyrosine kinase	0.0098	0.219	0.2222
Echinococcus multilocularis	insulin receptor	0.0059	0.1212	0.1212
Schistosoma mansoni	nicalin (M28 family)	0.0018	0.0177	0.0179
Entamoeba histolytica	P-glycoprotein-5	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0164	0.3826	0.3883
Brugia malayi	Sex muscle abnormal protein 5	0.0012	0.0026	0.0029
Brugia malayi	mbt repeat family protein	0.0046	0.0887	0.0989
Onchocerca volvulus	Fxna peptidase homolog	0.0018	0.0177	0.0705
Echinococcus multilocularis	NCK adaptor protein	0.0012	0.0026	0.0026
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0182	0.4273	0.4273
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0887	0.09
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0059	0.1212	0.1212
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0014	0.0092	0.0092
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0014	0.0092	0.0092
Echinococcus multilocularis	geminin	0.0164	0.3826	0.3826
Brugia malayi	glutaminase DH11.1	0.0265	0.6334	0.7057
Entamoeba histolytica	P-glycoprotein-2, putative	0.0011	0	0.5
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0182	0.4273	0.4273
Schistosoma mansoni	tyrosine kinase	0.0059	0.1212	0.123
Entamoeba histolytica	P-glycoprotein-1	0.0011	0	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0011	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0168	0.3935	0.4385
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0177	0.0177
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0371	0.8975	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0412	1	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.1123	0.1252
Plasmodium falciparum	multidrug resistance protein 1	0.0011	0	0.5
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0371	0.8975	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0014	0.0092	0.0092
Schistosoma mansoni	nck2/grb4	0.0012	0.0026	0.0026
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0014	0.0092	0.0092
Schistosoma mansoni	tyrosine kinase	0.0014	0.0092	0.0094
Schistosoma mansoni	hypothetical protein	0.0281	0.6735	0.6835
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	0.0018	0.0177	0.0177
Entamoeba histolytica	P-glycoprotein 5, putative	0.0011	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0249	0.5944	0.6622
Schistosoma mansoni	tyrosine kinase	0.0096	0.2123	0.2155
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0371	0.8975	1
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0111	0.2507	0.2507
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0177	0.0279
Trichomonas vaginalis	Clan MH, family M28, aminopeptidase S-like metallopeptidase	0.0018	0.0177	0.0279
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.1047	0.1047
Entamoeba histolytica	P-glyco protein 6, putative	0.0011	0	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.1123	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.3645	0.3645
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0177	0.0177
Schistosoma mansoni	tyrosine kinase	0.0406	0.9853	1
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0111	0.2507	0.2507
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0177	0.0279
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0182	0.4268	0.4268
Schistosoma mansoni	tyrosine kinase	0.0096	0.2123	0.2155
Schistosoma mansoni	tyrosine kinase	0.0014	0.0092	0.0094
Mycobacterium tuberculosis	Probable lipoprotein aminopeptidase LpqL	0.0018	0.0177	0.1574
Echinococcus granulosus	geminin	0.0164	0.3826	0.3826
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0887	0.0887
Schistosoma mansoni	tyrosine kinase	0.0096	0.2123	0.2155
Loa Loa (eye worm)	leucyl aminopeptidase	0.0018	0.0177	0.0177
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0887	0.3539
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.1047	0.1047
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0887	0.0887
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0014	0.0092	0.0092
Schistosoma mansoni	growth factor receptor-bound protein	0.0012	0.0026	0.0026
Brugia malayi	SRC-1	0.0014	0.0092	0.0103
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0018	0.0177	0.0179
Schistosoma mansoni	tyrosine kinase	0.0014	0.0092	0.0094
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0111	0.2507	1
Loa Loa (eye worm)	SRC-1	0.0014	0.0092	0.0092
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0014	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0371	0.8975	0.8975
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0026
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0014	0.0092	0.0092
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0014	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1047	0.1047
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1123	0.1123
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.1047	0.1166
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.1123	0.1252
Loa Loa (eye worm)	MBCTL1	0.0053	0.1047	0.1047
Echinococcus granulosus	insulin receptor	0.0059	0.1212	0.1212
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.1047	0.1062
Echinococcus granulosus	epidermal growth factor receptor	0.0182	0.4268	0.4268
Loa Loa (eye worm)	TK/INSR protein kinase	0.0059	0.1212	0.1212
Echinococcus multilocularis	epidermal growth factor receptor	0.0182	0.4268	0.4268
Echinococcus granulosus	growth factor receptor bound protein 2	0.0012	0.0026	0.0026
Echinococcus multilocularis		0.0056	0.1126	0.1126
Schistosoma mansoni	growth factor receptor-bound protein	0.0012	0.0026	0.0026
Loa Loa (eye worm)	TK/ABL protein kinase	0.0412	1	1
Schistosoma mansoni	tyrosine kinase	0.0098	0.219	0.2222
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.1047	0.1047
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0014	0.0092	0.0092
Schistosoma mansoni	tyrosine kinase	0.0182	0.4268	0.4331
Brugia malayi	Furin-like cysteine rich region family protein	0.0182	0.4268	0.4755
Echinococcus granulosus	epidermal growth factor receptor	0.0098	0.219	0.219

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.6 nM	Inhibition of EGFR by Z-LYTE assay	ChEMBL.	22018877

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: CHEMBL1914668

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 1577563