TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 393.469 | Formula: C25H25F2NO
H donors: 0 H acceptors: 0 LogP: 4.67 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C#CCN1[C@@H]2CC[C@H]1C/C(=C/COC(c1ccc(cc1)F)c1ccc(cc1)F)/C2
InChi: 1S/C25H25F2NO/c1-2-14-28-23-11-12-24(28)17-18(16-23)13-15-29-25(19-3-7-21(26)8-4-19)20-5-9-22(27)10-6-20/h1,3-10,13,23-25H,11-12,14-17H2/b18-13-/t23-,24+/m0/s1
InChiKey: AJMNONMQZOKCTA-WIOQJERESA-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	Vam6:Vps39 protein	0.0982	0.2914	0.2925
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0982	0.2914	0.2914
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0146	0.0146
Echinococcus granulosus	protein kinase	0.2349	0.704	0.7066
Schistosoma mansoni	protein kinase	0.3331	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0104	0.0105
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0091	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0043	0.4722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0036	0.3945
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2349	0.704	0.7066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3066
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0316	0.0317
Echinococcus multilocularis		0.2349	0.704	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0146	0.0146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0091	1
Brugia malayi	hypothetical protein	0.0982	0.2914	0.2914
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3078
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.0982	0.2914	0.2914
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0063	0.0215
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0091	0.0311
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0091	0.0311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0994	0.2951	0.2961
Brugia malayi	TAR-binding protein	0.0064	0.0146	0.0146
Brugia malayi	MH2 domain containing protein	0.012	0.0316	0.0316
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0091	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0071	0.78
Giardia lamblia	GTOR	0.0045	0.0091	0.5
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0146	0.0147
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0091	0.0091
Brugia malayi	RNA binding protein	0.0064	0.0146	0.0146
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0994	0.2951	0.2961
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0091	0.0311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0036	0.3945
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0982	0.2914	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0091	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0146	0.0208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3078
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.0011	0.0037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0063	0.6922
Echinococcus granulosus	microtubule associated protein 2	0.0694	0.2046	0.2054
Schistosoma mansoni	vam6/vps39 related	0.0982	0.2914	0.2914
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0146	0.0146
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0146	0.0147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0046	0.5047
Echinococcus multilocularis	microtubule associated protein 2	0.0694	0.2046	0.2907
Onchocerca volvulus		0.0982	0.2914	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0063	0.0215
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.0994	0.2951	0.2961
Schistosoma mansoni	protein kinase	0.2349	0.704	0.704
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0994	0.2951	0.4191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0091	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0063	0.6934
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0146	0.0146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0063	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3066
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0316	0.0317
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0982	0.2914	0.2925
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.0982	0.2914	0.2925
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0091	0.0091
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0104	0.0104
Schistosoma mansoni	microtubule-associated protein tau	0.0694	0.2046	0.2046
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0146	0.0146
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.3319	0.9964	1
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0982	0.2914	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Brugia malayi	Temporarily assigned gene name protein 59	0.0982	0.2914	0.2914
Schistosoma mansoni	serine/threonine protein kinase	0.0994	0.2951	0.2951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0063	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0035	0.3855
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0994	0.2951	0.4191
Loa Loa (eye worm)	hypothetical protein	0.0982	0.2914	0.2925
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0091	0.5
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.0982	0.2914	0.414
Echinococcus multilocularis	tumor protein p63	0.034	0.0979	0.139
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0019	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0035	0.3855
Schistosoma mansoni	serine/threonine protein kinase	0.0994	0.2951	0.2951
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0091	0.0091
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.0982	0.2914	1
Schistosoma mansoni	rap gtpase-activating protein	0.0982	0.2914	0.2914
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0091	0.0311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0063	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0091	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0063	0.6922
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0056	0.5
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0994	0.2951	0.2961
Schistosoma mansoni	hypothetical protein	0.0982	0.2914	0.2914
Loa Loa (eye worm)	hypothetical protein	0.0982	0.2914	0.2925
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0146	0.0147
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0994	0.2951	0.4191
Schistosoma mansoni	protein kinase	0.0994	0.2951	0.2951
Brugia malayi	Protein kinase domain containing protein	0.0994	0.2951	0.2951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Loa Loa (eye worm)	hypothetical protein	0.3319	0.9964	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3078
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0091	0.0129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0056	0.6145
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0146	0.0147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3066
Echinococcus granulosus	tumor protein p63	0.034	0.0979	0.0982
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0036	0.3945
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0146	0.0146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0028	0.3078

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: CHEMBL1962797

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 1611148