TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.424 | Formula: C22H21F3N4O
H donors: 2 H acceptors: 2 LogP: 5.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)NC(=O)c1cc2n(n1)C(CC(N2)c1ccc(cc1)C)C(F)(F)F
InChi: 1S/C22H21F3N4O/c1-13-3-7-15(8-4-13)17-11-19(22(23,24)25)29-20(27-17)12-18(28-29)21(30)26-16-9-5-14(2)6-10-16/h3-10,12,17,19,27H,11H2,1-2H3,(H,26,30)
InChiKey: AVMNAHJCASIZOO-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

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
Loa Loa (eye worm)	TK/ABL protein kinase	0.0273	0.3639	0.5487
Brugia malayi	Sema domain containing protein	0.0082	0.0576	0.0531
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0066	0.0316	0.0249
Schistosoma mansoni	plexin	0.0182	0.2174	0.3448
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0064	0.0291	0.013
Schistosoma mansoni	tyrosine kinase	0.0265	0.3512	0.557
Loa Loa (eye worm)	hypothetical protein	0.0138	0.1479	0.2078
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0212	0.2655	0.2534
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1121	0.1513
Schistosoma mansoni	tyrosine kinase	0.0278	0.3715	0.5892
Schistosoma mansoni	cell adhesion molecule	0.0069	0.0374	0.0594
Echinococcus granulosus	tyrosine kinase	0.0066	0.0316	0.0156
Loa Loa (eye worm)	hypothetical protein	0.01	0.0858	0.1098
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0073	0.044	0.0282
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0139	0.1491	0.2163
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0132	0.1372	0.197
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.029	0.3919	0.3819
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Schistosoma mansoni	voltage-gated potassium channel	0.0061	0.0244	0.0387
Schistosoma mansoni	semaphorin 5-related	0.0082	0.0576	0.0914
Schistosoma mansoni	tyrosine kinase	0.0073	0.044	0.0698
Schistosoma mansoni	tyrosine kinase	0.0439	0.6304	1
Brugia malayi	hypothetical protein	0.0061	0.0246	0.0003
Echinococcus granulosus	insulin receptor	0.0285	0.3836	0.3734
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0139	0.1491	0.2163
Entamoeba histolytica	protein kinase domain containing protein	0.006	0.0218	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0066	0.0316	0.0156
Echinococcus granulosus	neuroglian	0.0071	0.0393	0.0234
Brugia malayi	protein-tyrosine kinase	0.0066	0.0316	0.0115
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0198	0.2432	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0278	0.3715	0.3611
Loa Loa (eye worm)	TK/EPH protein kinase	0.02	0.2468	0.3639
Schistosoma mansoni	hypothetical protein	0.01	0.0858	0.1361
Echinococcus multilocularis	semaphorin 5B	0.0082	0.0576	0.0674
Echinococcus granulosus	plexin a4	0.0217	0.275	0.263
Echinococcus granulosus	semaphorin 1A	0.0082	0.0576	0.0421
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0139	0.1491	0.1351
Schistosoma mansoni	nephrin	0.0076	0.0477	0.0756
Echinococcus multilocularis	voltage gated potassium channel	0.0061	0.0244	0.0133
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0073	0.044	0.0451
Schistosoma mansoni	ephrin receptor	0.0162	0.186	0.295
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0066	0.0316	0.0249
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0073	0.044	0.0282
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0073	0.044	0.0282
Entamoeba histolytica	tyrosin kinase, putative	0.006	0.0218	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0073	0.044	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0521	0.0566
Schistosoma mansoni	vesicular amine transporter	0.007	0.0386	0.0612
Loa Loa (eye worm)	SRC-1	0.0073	0.044	0.0437
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0073	0.044	0.0451
Schistosoma mansoni	tyrosine kinase	0.0285	0.3836	0.6084
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0061	0.0244	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0244	0.0129
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0061	0.0244	0.0133
Schistosoma mansoni	tyrosine kinase	0.0254	0.3334	0.5288
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0073	0.044	0.0451
Brugia malayi	Sema domain containing protein	0.0082	0.0576	0.0531
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0066	0.0316	0.0249
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0273	0.3639	0.566
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0521	0.0566
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0073	0.044	0.0282
Echinococcus granulosus	roundabout 2	0.0084	0.0605	0.0449
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0073	0.044	0.0451
Echinococcus granulosus	semaphorin 5B	0.0082	0.0576	0.0421
Schistosoma mansoni	tyrosine kinase	0.0285	0.3836	0.6084
Loa Loa (eye worm)	sema domain-containing protein	0.0082	0.0576	0.0653
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0198	0.2432	0.5
Loa Loa (eye worm)	TK/INSR protein kinase	0.0285	0.3836	0.5797
Brugia malayi	plexin A	0.0217	0.275	0.4007
Echinococcus multilocularis		0.0128	0.1314	0.1875
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0291	0.0202
Echinococcus granulosus	voltage gated potassium channel	0.0061	0.0244	0.0083
Echinococcus multilocularis	epidermal growth factor receptor	0.0278	0.3715	0.5784
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0246	0.0132
Schistosoma mansoni	tyrosine kinase	0.0139	0.1491	0.2366
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0177	0.2104	0.3161
Onchocerca volvulus	Tyrosine kinase homolog	0.0401	0.5699	1
Brugia malayi	Protein kinase domain containing protein	0.0107	0.0981	0.1178
Echinococcus multilocularis	epidermal growth factor receptor	0.0439	0.6304	1
Echinococcus granulosus	epidermal growth factor receptor	0.0439	0.6304	0.6243
Brugia malayi	Tyrosine-protein kinase abl-1	0.0149	0.1651	0.225
Schistosoma mansoni	voltage-gated potassium channel	0.0061	0.0244	0.0387
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0073	0.044	0.0282
Schistosoma mansoni	plexin	0.01	0.0858	0.1361
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0058	0.0189	0.0042
Brugia malayi	hypothetical protein	0.0082	0.0576	0.0531
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0073	0.044	0.0282
Echinococcus multilocularis	insulin receptor	0.0285	0.3836	0.598
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0066	0.0316	0.0156
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0073	0.044	0.0451
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0056	0.0163	0.0258
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0073	0.044	0.0282
Loa Loa (eye worm)	TK protein kinase	0.0058	0.0189	0.0041
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0073	0.044	0.0451
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0451	0.6498	1
Brugia malayi	ephrin receptor 1 precursor	0.0089	0.0687	0.0708
Loa Loa (eye worm)	sema domain-containing protein	0.0082	0.0576	0.0653
Brugia malayi	hypothetical protein	0.0082	0.0576	0.0531
Echinococcus multilocularis	hypothetical protein	0.0082	0.0576	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0246	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0184	0.2207	0.3227
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0212	0.2655	0.4059
Schistosoma mansoni	hypothetical protein	0.0082	0.0576	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0139	0.1491	0.1351
Schistosoma mansoni	voltage-gated potassium channel	0.0231	0.2967	0.4707
Brugia malayi	Protein kinase domain containing protein	0.0285	0.3836	0.5743
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0278	0.3715	0.3611
Brugia malayi	Furin-like cysteine rich region family protein	0.0439	0.6304	0.969
Brugia malayi	Fibronectin type III domain containing protein	0.0061	0.0246	0.0003
Loa Loa (eye worm)	plexin A	0.0217	0.275	0.4084
Echinococcus granulosus	tyrosine protein kinase HCK	0.0058	0.0189	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0182	0.2174	0.3174
Schistosoma mansoni	tyrosine kinase	0.0073	0.044	0.0698
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0212	0.2655	0.3935
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0212	0.2655	0.3855
Schistosoma mansoni	tyrosine kinase	0.0278	0.3715	0.5892
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0073	0.044	0.0451
Onchocerca volvulus		0.0363	0.5087	0.8807
Schistosoma mansoni	tyrosine kinase	0.0254	0.3334	0.5288
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Loa Loa (eye worm)	hypothetical protein	0.007	0.039	0.0358
Brugia malayi	SRC-1	0.0073	0.044	0.0313
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0273	0.3639	0.3534
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0246	0.0132
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0056	0.0163	0.0258
Loa Loa (eye worm)	TK protein kinase	0.0066	0.0316	0.0242
Onchocerca volvulus		0.0138	0.1479	0.1762
Loa Loa (eye worm)	TK protein kinase	0.0153	0.1722	0.2461
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.029	0.3919	0.6116
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0073	0.044	0.0282
Schistosoma mansoni	tyrosine kinase	0.0254	0.3334	0.5288
Echinococcus granulosus	twitchin	0.0071	0.0393	0.0234
Schistosoma mansoni	voltage-gated potassium channel	0.0231	0.2967	0.4707
Brugia malayi	Plexin repeat family protein	0.0182	0.2174	0.3085
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Schistosoma mansoni	hypothetical protein	0.0082	0.0576	0.0914
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0439	0.6304	0.9694
Echinococcus granulosus	ephrin type A receptor 4 A	0.0177	0.2104	0.1973
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0061	0.0246	0.0003
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0073	0.044	0.0451
Echinococcus multilocularis	neuroglian	0.0071	0.0393	0.0375
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0153	0.1722	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0576	0.0653
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0451	0.6498	1
Echinococcus multilocularis	roundabout 2	0.0084	0.0605	0.072
Loa Loa (eye worm)	hypothetical protein	0.0083	0.06	0.069
Echinococcus multilocularis	plexin a4	0.0217	0.275	0.4213
Brugia malayi	Tyrosine-protein kinase abl-1	0.0132	0.1372	0.1804
Onchocerca volvulus		0.0182	0.2174	0.3119

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 656910