TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 461.485 | Formula: C26H24FN3O4
H donors: 1 H acceptors: 4 LogP: 2.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ncc2c(c1CNC(=O)c1ccccc1F)CCN(C2)C(=O)c1coc2c1C(=O)CCC2
InChi: 1S/C26H24FN3O4/c1-15-19(12-29-25(32)18-5-2-3-6-21(18)27)17-9-10-30(13-16(17)11-28-15)26(33)20-14-34-23-8-4-7-22(31)24(20)23/h2-3,5-6,11,14H,4,7-10,12-13H2,1H3,(H,29,32)
InChiKey: UJMYDMOXYRWLEL-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
Echinococcus multilocularis	protein kinase c iota type	0.0014	0.0433	0.042
Schistosoma mansoni	atypical protein kinase C	0.0014	0.0433	0.0399
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0011	0.0273	0.0251
Echinococcus multilocularis	Glutaredoxin protein 5	0.0024	0.0958	0.0974
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.5552	0.5536
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0273	0.0239
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Trypanosoma brucei	polo-like protein kinase	0.0114	0.5552	1
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.019	0.9513	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0114	0.5552	0.5536
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0433	0.078
Echinococcus granulosus	neuroglian	0.0014	0.0418	0.0405
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Echinococcus multilocularis	rac serine:threonine kinase	0.0029	0.1172	0.12
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.5552	1
Entamoeba histolytica	protein kinase 2, putative	0.0026	0.1047	0.1886
Echinococcus granulosus	defective proboscis extension response	0.0011	0.0273	0.0251
Schistosoma mansoni	kinase	0.0058	0.2711	0.2685
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0111	0.5406	0.9676
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.5552	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0026	0.1047	0.1068
Brugia malayi	Protein kinase domain containing protein	0.019	0.9513	0.9512
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0026	0.1047	0.1068
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0273	0.0251
Toxoplasma gondii	AGC kinase	0.0038	0.1686	0.5
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0273	0.0239
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Echinococcus multilocularis	roundabout 2	0.0017	0.0604	0.06
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0026	0.1047	0.5
Schistosoma mansoni	eukaryotic elongation factor 2 kinase (eef-2 kinase)	0.0111	0.5406	0.539
Schistosoma mansoni	serine/threonine protein kinase	0.019	0.9513	0.9512
Trichomonas vaginalis	CAMK family protein kinase	0.0057	0.2634	0.4745
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0114	0.5552	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Echinococcus granulosus	roundabout 2	0.0017	0.0604	0.06
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.019	0.9513	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0014	0.0433	0.042
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0014	0.0433	0.042
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0433	0.0399
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.019	0.9513	1
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0273	0.0239
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.02	1	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.019	0.9513	0.9512
Echinococcus granulosus	eukaryotic elongation factor 2 kinase	0.0111	0.5406	0.5667
Echinococcus multilocularis	neuroglian	0.0014	0.0418	0.0405
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0558	0.1006
Schistosoma mansoni	serine/threonine kinase	0.0014	0.0433	0.0399
Echinococcus granulosus	Immunoglobulin	0.0011	0.0273	0.0251
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0433	0.042
Schistosoma mansoni	elongation factor 2 kinase	0.0032	0.1367	0.1337
Entamoeba histolytica	hypothetical protein, conserved	0.0032	0.1367	0.2463
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Echinococcus granulosus	nervana 2	0.0024	0.0958	0.0974
Leishmania major	myosin heavy chain kinase a-like protein	0.0111	0.5406	0.9651
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.1172	0.2112
Giardia lamblia	Kinase, PLK	0.0114	0.5552	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0014	0.0433	0.0399
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0014	0.0433	0.0399
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0014	0.0433	0.042
Echinococcus multilocularis	eukaryotic elongation factor 2 kinase	0.0111	0.5406	0.5667
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Entamoeba histolytica	hypothetical protein, conserved	0.0032	0.1367	0.2463
Trypanosoma cruzi	myosin heavy chain kinase A, putative	0.0111	0.5406	0.9676
Schistosoma mansoni	serine/threonine protein kinase	0.02	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Entamoeba histolytica	protein kinase, putative	0.0038	0.1686	0.3038
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0114	0.5552	1
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Trichomonas vaginalis	CAMK family protein kinase	0.0057	0.2634	0.4745
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0273	0.0251
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0114	0.5552	0.5821
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Entamoeba histolytica	protein kinase, putative	0.0032	0.1367	0.2463
Entamoeba histolytica	protein kinase, putative	0.0041	0.1812	0.3264
Entamoeba histolytica	hypothetical protein, conserved	0.0032	0.1367	0.2463
Brugia malayi	p70 ribosomal S6 kinase beta	0.0038	0.1686	0.1657
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Brugia malayi	protein kinase C II.	0.0014	0.0433	0.0399
Echinococcus granulosus	Protein kinase C brain isozyme	0.0014	0.0433	0.042
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0012	0.0344	0.0619
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.019	0.9513	0.9512
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0014	0.0433	0.042
Echinococcus multilocularis	serine threonine protein kinase	0.0014	0.0433	0.042
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Brugia malayi	Protein kinase domain containing protein	0.0041	0.1812	0.1783
Schistosoma mansoni	cell adhesion molecule	0.0015	0.0459	0.0425
Echinococcus granulosus	protein kinase c epsilon type	0.0014	0.0433	0.042
Schistosoma mansoni	serine/threonine-protein kinase	0.0029	0.1172	0.1142
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0014	0.0433	0.0399
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0014	0.0433	0.042
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.019	0.9513	0.9512
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0604	0.0571
Echinococcus granulosus	nervana 2	0.0024	0.0958	0.0974
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0114	0.5552	0.5536
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Echinococcus multilocularis	nervana 2	0.0024	0.0958	0.0974
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0273	0.0239
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0029	0.1172	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0604	0.0571
Echinococcus granulosus	protein kinase c iota type	0.0014	0.0433	0.042
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0111	0.5406	0.961
Schistosoma mansoni	elongation factor 2 kinase	0.0032	0.1367	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0459	0.0425
Echinococcus granulosus	protein kinase C gamma type	0.0014	0.0433	0.042
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Entamoeba histolytica	protein kinase, putative	0.0032	0.1367	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0111	0.5406	0.539
Schistosoma mansoni	tyrosine kinase	0.0007	0.0087	0.0052
Brugia malayi	hypothetical protein	0.0011	0.0273	0.0239
Echinococcus granulosus	serine threonine protein kinase nrc	0.0026	0.1047	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0459	0.0447
Entamoeba histolytica	protein kinase, putative	0.0014	0.0433	0.078
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0114	0.5552	0.5821
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0014	0.0433	0.0399
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0032	0.1367	0.2463
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0008	0.0124	0.009
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0041	0.1812	0.1783
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0433	0.078
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0038	0.1686	0.1657
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.018	0.8952	0.8948
Echinococcus multilocularis	nervana 2	0.0024	0.0958	0.0974
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0026	0.1047	0.5
Echinococcus granulosus	serine/threonine protein kinase	0.0029	0.1172	0.12
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0024	0.0958	0.0974
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0014	0.0433	0.042
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0024	0.0958	0.0974
Onchocerca volvulus		0.0164	0.8145	0.8557
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.5552	1
Schistosoma mansoni	nephrin	0.0014	0.0418	0.0385
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.1812	0.3264
Echinococcus granulosus	NDR protein kinase	0.0014	0.0433	0.042
Entamoeba histolytica	hypothetical protein	0.0032	0.1367	0.2463
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0014	0.0433	0.042
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0014	0.0433	0.042
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0014	0.0433	0.042
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0029	0.1172	0.2112
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0114	0.5552	0.5821
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0273	0.0239
Trypanosoma cruzi	Protein kinase B	0.0029	0.1172	0.0279
Entamoeba histolytica	protein kinase, putative	0.0041	0.1812	0.3264
Brugia malayi	MHCK/EF2 kinase domain family protein	0.0111	0.5406	0.539
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0433	0.078
Brugia malayi	Hr1 repeat family protein	0.0014	0.0433	0.0399
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0014	0.0433	0.042
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0014	0.0433	0.0399
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0014	0.0433	0.0399
Echinococcus granulosus	twitchin	0.0016	0.0508	0.0499
Brugia malayi	Immunoglobulin I-set domain containing protein	0.018	0.8952	0.8948
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0433	0.0399
Schistosoma mansoni	serine/threonine protein kinase	0.0014	0.0433	0.0399
Trypanosoma brucei	myosin heavy chain kinase A, putative	0.0111	0.5406	0.961
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0024	0.0958	0.0974
Brugia malayi	Fibronectin type III domain containing protein	0.0011	0.0273	0.0239
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0014	0.0433	0.042
Onchocerca volvulus	Tyrosine kinase homolog	0.0168	0.8343	0.8765
Schistosoma mansoni	serine/threonine-protein kinase	0.0029	0.1172	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0433	0.0399

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 814625