TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.444 | Formula: C25H21FN2O3
H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1[C@H]2[C@@H](N1C(=O)c1ccccc1)CN(c1c2cccc1)C(=O)c1ccc(cc1)F
InChi: 1S/C25H21FN2O3/c26-18-12-10-17(11-13-18)24(30)27-14-21-23(19-8-4-5-9-20(19)27)22(15-29)28(21)25(31)16-6-2-1-3-7-16/h1-13,21-23,29H,14-15H2/t21-,22+,23+/m0/s1
InChiKey: YXCAYQQTSCIFOX-YTFSRNRJSA-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

No curated genes were found associated with this compound

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
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0098	0.0118	0.0118
Echinococcus multilocularis	epidermal growth factor receptor	0.2352	1	1
Schistosoma mansoni	tyrosine kinase	0.1319	0.5474	0.5419
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0751	0.2983	0.2983
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0086	0.007	0.007
Entamoeba histolytica	protein kinase, putative	0.0075	0.0019	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.2352	1	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.1319	0.5474	0.5474
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0751	0.2983	0.2983
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0098	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.1304	0.5404	0.5349
Schistosoma mansoni	tyrosine kinase	0.1304	0.5404	0.5349
Loa Loa (eye worm)	TK protein kinase	0.0086	0.007	0.005
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Echinococcus granulosus	epidermal growth factor receptor	0.2352	1	1
Brugia malayi	Protein kinase domain containing protein	0.0751	0.2983	0.2934
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0075	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.2352	1	1
Toxoplasma gondii	PAN domain-containing protein	0.0895	0.3616	0.5
Toxoplasma gondii	PAN domain-containing protein	0.0895	0.3616	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.1319	0.5474	0.5474
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0098	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0086	0.007	0.007
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0086	0.007	0.007
Loa Loa (eye worm)	SRC-1	0.0098	0.0118	0.0099
Brugia malayi	SRC-1	0.0098	0.0118	0.0049
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0098	0.0118	0.0118
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0098	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0098	0.0118	0.0118
Echinococcus multilocularis		0.0808	0.3231	0.3231
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.1304	0.5404	0.5349
Schistosoma mansoni	tyrosine kinase	0.0751	0.2983	0.2899
Echinococcus granulosus	tyrosine kinase	0.0086	0.007	0.007
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0086	0.007	0.007
Schistosoma mansoni	tyrosine kinase	0.0751	0.2983	0.2899
Echinococcus granulosus	tyrosine protein kinase HCK	0.0075	0.0019	0.0019
Echinococcus multilocularis	insulin receptor	0.0751	0.2983	0.2983
Echinococcus multilocularis	epidermal growth factor receptor	0.1319	0.5474	0.5474
Loa Loa (eye worm)	TK/INSR protein kinase	0.0751	0.2983	0.2969
Echinococcus granulosus	tyrosine protein kinase Blk	0.0086	0.007	0.007
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0098	0.0118	0.0118
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0098	0.0118	0.0118
Echinococcus granulosus	insulin receptor	0.0751	0.2983	0.2983
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0098	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0098	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0098	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0098	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.1319	0.5474	0.5419

Activities

No activities found for this compound.

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: CHEMBL2362208

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1751191