TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.434 | Formula: C23H18FN7
H donors: 0 H acceptors: 4 LogP: 4.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1ccc2n(n1)c(cn2)Cc1cc2cccnc2cc1F)/N=N/c1ccccn1
InChi: 1S/C23H18FN7/c1-15(28-29-22-6-2-3-9-26-22)20-7-8-23-27-14-18(31(23)30-20)12-17-11-16-5-4-10-25-21(16)13-19(17)24/h2-11,13-15H,12H2,1H3/b29-28+
InChiKey: NYJXSYHUDLNAMK-ZQHSETAFSA-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	No 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
Trypanosoma cruzi	DNA polymerase eta, putative	0.0037	0.3583	0.4848
Schistosoma mansoni	hypothetical protein	0.0035	0.3373	0.4578
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.3745	1
Echinococcus multilocularis	dna polymerase eta	0.0063	0.7367	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Brugia malayi	Plexin repeat family protein	0.0021	0.1288	0.1724
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.3745	0.5069
Schistosoma mansoni	DNA polymerase eta	0.0063	0.7367	1
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.3745	0.5
Trypanosoma brucei	unspecified product	0.0026	0.2042	0.2751
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0022	0.003
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.3745	0.5069
Loa Loa (eye worm)	hypothetical protein	0.0081	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0038	0.3745	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Leishmania major	DNA polymerase eta, putative	0.0063	0.7367	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0022
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Trypanosoma brucei	unspecified product	0.0026	0.2042	0.2751
Echinococcus granulosus	plexin a4	0.0025	0.1843	0.248
Brugia malayi	plexin A	0.0025	0.1843	0.248
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Entamoeba histolytica	hypothetical protein	0.0035	0.3373	0.3358
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.3745	0.5069
Trypanosoma brucei	DNA polymerase eta, putative	0.0063	0.7367	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0022	0.003
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.3745	0.3745
Giardia lamblia	DINP protein human, muc B family	0.0038	0.3745	1
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.0022	0.003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Echinococcus granulosus	dna polymerase kappa	0.0038	0.3745	0.5069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.2042	0.2751
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.3745	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.3373	0.4562
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.3745	0.5084
Loa Loa (eye worm)	hypothetical protein	0.0063	0.7367	0.7367
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Schistosoma mansoni	plexin	0.0012	0.0022	0.003
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1288	0.1288
Leishmania major	DNA polymerase eta, putative	0.0037	0.3583	0.4848
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.2042	0.2751
Brugia malayi	ImpB/MucB/SamB family protein	0.0063	0.7367	1
Trypanosoma brucei	unspecified product	0.0038	0.3745	0.5069
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0038	0.3745	0.3732
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.3745	0.5069
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.3745	0.5069
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0022	0.0022
Leishmania major	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0037	0.3583	1
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.3745	0.5069
Entamoeba histolytica	hypothetical protein	0.0035	0.3373	0.3358
Echinococcus granulosus	dna polymerase eta	0.0063	0.7367	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Onchocerca volvulus		0.0021	0.1288	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.3745	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.3745	0.5069
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.3745	0.5069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Echinococcus multilocularis	plexin a4	0.0025	0.1843	0.248
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.3373	0.4578
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.3373	0.4562
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0022	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.3745	0.5069
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.3745	0.5084
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0081	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.2042	0.2751
Trypanosoma cruzi	DNA polymerase eta, putative	0.0063	0.7367	1
Brugia malayi	hypothetical protein	0.0035	0.3373	0.4562
Loa Loa (eye worm)	plexin A	0.0025	0.1843	0.1843
Plasmodium vivax	NLI interacting factor-like phosphatase, putative	0.0012	0.0022	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.3373	0.3358
Entamoeba histolytica	hypothetical protein	0.0035	0.3373	0.3358
Plasmodium falciparum	NLI interacting factor-like phosphatase, putative	0.0012	0.0022	0.5
Schistosoma mansoni	plexin	0.0021	0.1288	0.1749
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.3745	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 18 nM	BindingDB_Patents: Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay. The kinase assay is based on the LanthaScreen technology. LanthaScreen is the detection of Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) using lanthanide chelates to measure interactions between various binding partners.	ChEMBL.	No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1996730