TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 502.469 | Formula: C27H20F2N4O4
H donors: 3 H acceptors: 4 LogP: 2.26 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OCC#Cc1c(ccnc1N)Oc1ccc(cc1F)n1cc(ccc1=O)C(=O)NCc1ccc(cc1)F
InChi: 1S/C27H20F2N4O4/c28-19-6-3-17(4-7-19)15-32-27(36)18-5-10-25(35)33(16-18)20-8-9-24(22(29)14-20)37-23-11-12-31-26(30)21(23)2-1-13-34/h3-12,14,16,34H,13,15H2,(H2,30,31)(H,32,36)
InChiKey: QFCOPCFWICVDDB-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	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
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0021	0.0209	1
Leishmania major	tyrosine specific protein phosphatase, putative	0.0009	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Onchocerca volvulus		0.0009	0.0004	0.0172
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Brugia malayi	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0009	0.0004	0.0011
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0062	0.092	0.272
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0209	0.062
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Brugia malayi	hypothetical protein	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Trichomonas vaginalis	pten, drome, putative	0.0009	0.0004	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0011
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Brugia malayi	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	plexin a4	0.0025	0.0275	0.0275
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0009	0.0004	0.0011
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0009	0.0004	0.0004
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0009	0.0004	0.5
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	plexin a4	0.0025	0.0275	0.0813
Brugia malayi	Protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	hypothetical protein	0.0009	0.0004	0.0011
Brugia malayi	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0009	0.0004	0.0011
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0009	0.0004	0.0011
Giardia lamblia	Protein tyrosine phosphatase	0.0009	0.0004	0.5
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Brugia malayi	Protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Schistosoma mansoni	pcd6 interacting protein-related	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0009	0.0004	0.0004
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0009	0.0004	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Echinococcus multilocularis		0.0009	0.0004	0.0011
Brugia malayi	plexin A	0.0025	0.0275	0.0813
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0009	0.0004	0.0011
Loa Loa (eye worm)	plexin A	0.0025	0.0275	0.0815
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0205	0.3385	0.3385
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0914	0.2705
Schistosoma mansoni	protein kinase	0.0205	0.3385	1
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0009	0.0004	0.5
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0009	0.0004	0.0011
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0009	0.0004	0.0011
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0062	0.092	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Schistosoma mansoni	plexin	0.0021	0.0209	0.0619
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0009	0.0004	0.0011
Brugia malayi	Neuronal symmetry protein 1	0.0205	0.3385	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0009	0.0004	0.0004
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	protein kinase	0.0205	0.3385	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0011
Schistosoma mansoni	plexin	0.0012	0.0059	0.0175
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0062	0.092	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0009	0.0004	0.0011
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0009	0.0004	0.5
Brugia malayi	Plexin repeat family protein	0.0021	0.0209	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0009	0.0004	0.0004
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	protein tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0205	0.338	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Onchocerca volvulus		0.0009	0.0004	0.0172
Schistosoma mansoni	protein tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Onchocerca volvulus	4.1 G protein, putative homolog	0.0009	0.0004	0.0172
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0059	0.0175
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0009	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0004
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0205	0.3385	1
Onchocerca volvulus		0.0009	0.0004	0.0172
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	hypothetical protein	0.0012	0.0059	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0009	0.0004	0.0011
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0009	0.0004	0.0011
Echinococcus multilocularis	hypothetical protein	0.0009	0.0004	0.0011
Schistosoma mansoni	protein tyrosine phosphatase	0.0009	0.0004	0.0011
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0009	0.0004	0.0011
Onchocerca volvulus		0.0009	0.0004	0.0172
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0011
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0009	0.0004	0.0011
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0009	0.0004	0.0004
Onchocerca volvulus		0.0009	0.0004	0.0172
Onchocerca volvulus		0.0009	0.0004	0.0172
Brugia malayi	Protein-tyrosine phosphatase 1	0.0009	0.0004	0.0011
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0009	0.0004	0.0011
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0009	0.0004	0.0011
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0009	0.0004	0.0011

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.28 uM	Inhibition of recombinant MET kinase domain (unknown origin)	ChEMBL.	24951334

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: CHEMBL3309959

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 916478