TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 451.475 | Formula: C23H25N5O5
H donors: 3 H acceptors: 4 LogP: 1.92 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)cc(cc1OC)Nc1nc(cnc1NC(=O)C)c1cccc(c1)NC(=O)C
InChi: 1S/C23H25N5O5/c1-13(29)25-16-8-6-7-15(9-16)18-12-24-22(26-14(2)30)23(28-18)27-17-10-19(31-3)21(33-5)20(11-17)32-4/h6-12H,1-5H3,(H,25,29)(H,27,28)(H,24,26,30)
InChiKey: FOLDYQZDOCDFHZ-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)	raf kinase	0.0497	0.057	0.0436
Onchocerca volvulus		0.1047	0.3939	0.714
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0521	0.0718	0.0718
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0618	0.1309	0.1185
Echinococcus granulosus	phosphorylase kinase gamma subunit	0.0607	0.1245	0.1245
Echinococcus granulosus	myosin light chain kinase smooth muscle	0.0668	0.1616	0.1616
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0607	0.1245	0.083
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Loa Loa (eye worm)	hypothetical protein	0.1743	0.8208	0.8182
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0497	0.057	0.0429
Loa Loa (eye worm)	hypothetical protein	0.1296	0.5465	0.54
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Trichomonas vaginalis	AGC family protein kinase	0.0428	0.0148	0.0056
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0873	0.2871	0.2871
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0618	0.1309	0.1309
Entamoeba histolytica	protein kinase, putative	0.0636	0.1422	0.4264
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.0497	0.057	0.1134
Brugia malayi	diacylglycerol kinase	0.0497	0.057	0.0436
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Schistosoma mansoni	serine/threonine protein kinase	0.1986	0.9694	0.9689
Brugia malayi	protein kinase C3,putative	0.1016	0.3749	0.366
Echinococcus granulosus	raf serine:threonine protein kinase	0.0497	0.057	0.057
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0497	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0516	0.0683	0.0551
Echinococcus multilocularis	RNA directed DNA polymerase	0.0799	0.2417	0.2417
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0618	0.1309	0.1309
Schistosoma mansoni	unc-13 (munc13)	0.0569	0.1012	0.0877
Echinococcus multilocularis	phosphorylase b kinase regulatory	0.0678	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0618	0.1309	0.1309
Brugia malayi	Protein kinase c protein 2	0.1392	0.6055	0.5999
Echinococcus granulosus	RNA directed DNA polymerase	0.0799	0.2417	0.2417
Echinococcus multilocularis	phosphorylase b kinase regulatory	0.101	0.3716	0.3716
Echinococcus granulosus	protein kinase c epsilon type	0.2035	1	1
Schistosoma mansoni	protein kinase C mu	0.1071	0.4086	0.3998
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0636	0.1422	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Brugia malayi	phosphorylase B kinase alpha regulatory chain	0.101	0.3716	0.3626
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0497	0.057	0.0436
Schistosoma mansoni	diacylglycerol kinase theta	0.0497	0.057	0.0429
Loa Loa (eye worm)	hypothetical protein	0.1246	0.516	0.5091
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.2035	1	1
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0428	0.0148	0.5
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0569	0.1012	0.1012
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0497	0.057	0.0429
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0428	0.0148	0.5
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0618	0.1309	0.1309
Echinococcus granulosus	Protein kinase C brain isozyme	0.1986	0.9694	0.9694
Echinococcus granulosus	serine:threonine protein kinase	0.0668	0.1616	0.1616
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0618	0.1309	0.1185
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0497	0.057	0.0436
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0428	0.0148	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0678	0.1676	0.1557
Echinococcus multilocularis	protein kinase c eta type	0.0497	0.057	0.057
Echinococcus multilocularis	N chimaerin	0.0497	0.057	0.057
Mycobacterium tuberculosis	Conserved protein	0.0427	0.0141	0.5
Echinococcus multilocularis	protein kinase c iota type	0.1609	0.7388	0.7388
Leishmania major	protein kinase A catalytic subunit	0.0428	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0428	0.0148	0.0007
Schistosoma mansoni	unc-13 (munc13)	0.0569	0.1012	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Schistosoma mansoni	phosphorylase B kinase alpha kpb1	0.101	0.3716	0.3622
Toxoplasma gondii	AGC kinase	0.0618	0.1309	1
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Brugia malayi	diacylglycerol kinase	0.0497	0.057	0.0436
Onchocerca volvulus	Phosphorylase b kinase regulatory subunit beta homolog	0.0678	0.1676	0.1839
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Brugia malayi	Pleckstrin Homology Domain	0.0516	0.0683	0.0551
Brugia malayi	phosphorylase B kinase beta regulatory chain	0.0678	0.1676	0.1557
Schistosoma mansoni	serine/threonine protein kinase	0.0521	0.0718	0.0578
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0497	0.057	0.0436
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.1071	0.4086	0.4002
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.1071	0.4086	0.4002
Echinococcus multilocularis	protein kinase c epsilon type	0.2035	1	1
Loa Loa (eye worm)	hypothetical protein	0.055	0.0891	0.0761
Schistosoma mansoni	atypical protein kinase C	0.1646	0.761	0.7575
Loa Loa (eye worm)	hypothetical protein	0.1246	0.516	0.5091
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0618	0.1309	0.1185
Brugia malayi	Variant SH3 domain containing protein	0.0497	0.057	0.0436
Schistosoma mansoni	protein kinase C	0.0569	0.1012	0.0877
Echinococcus multilocularis	unc 13 (munc13)	0.0569	0.1012	0.1012
Echinococcus multilocularis	serine:threonine protein kinase N2	0.1466	0.651	0.651
Loa Loa (eye worm)	hypothetical protein	0.0799	0.2417	0.2309
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0895	0.3007	0.2907
Schistosoma mansoni	serine/threonine protein kinase	0.0618	0.1309	0.1179
Echinococcus granulosus	phosphorylase b kinase regulatory	0.0678	0.1676	0.1676
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0594	0.1161	0.7962
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0618	0.1309	0.1185
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Brugia malayi	p70 ribosomal S6 kinase beta	0.0618	0.1309	0.1185
Entamoeba histolytica	diacylglycerol kinase, putative	0.0497	0.057	0.1134
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0618	0.1309	0.1309
Brugia malayi	C1-like domain containing protein	0.1071	0.4086	0.4002
Loa Loa (eye worm)	hypothetical protein	0.1246	0.516	0.5091
Trichomonas vaginalis	AGC family protein kinase	0.0618	0.1309	0.9114
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0497	0.057	0.057
Toxoplasma gondii	diacylglycerol kinase, putative	0.0497	0.057	0.3636
Echinococcus granulosus	protein kinase C gamma type	0.1488	0.6646	0.6646
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Echinococcus granulosus	NDR protein kinase	0.0618	0.1309	0.1309
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0497	0.057	0.057
Schistosoma mansoni	serine/threonine protein kinase	0.1986	0.9694	0.9689
Entamoeba histolytica	protein kinase, putative	0.0636	0.1422	0.4264
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0428	0.0148	0.5
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0428	0.0148	0.5
Echinococcus granulosus	Diacylglycerol kinase theta	0.0497	0.057	0.057
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0428	0.0148	0.5
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0428	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.1047	0.3939	0.3852
Trichomonas vaginalis	AGC family protein kinase	0.0618	0.1309	0.9114
Schistosoma mansoni	serine/threonine protein kinase	0.0521	0.0718	0.0578
Brugia malayi	RhoGEF domain containing protein	0.0497	0.057	0.0436
Schistosoma mansoni	serine/threonine kinase	0.0618	0.1309	0.1179
Entamoeba histolytica	hypothetical protein	0.0497	0.057	0.1134
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0618	0.1309	0.1309
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1986	0.9694	0.9694
Loa Loa (eye worm)	hypothetical protein	0.1065	0.4052	0.3967
Entamoeba histolytica	protein kinase, putative	0.0618	0.1309	0.3847
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0428	0.0148	0.5
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0428	0.0148	0.0148
Onchocerca volvulus	Putative phosphorylase b kinase regulatory subunit alpha	0.101	0.3716	0.6618
Onchocerca volvulus		0.1065	0.4052	0.7406
Entamoeba histolytica	protein kinase, putative	0.0618	0.1309	0.3847
Schistosoma mansoni	serine/threonine protein kinase	0.2035	1	1
Echinococcus granulosus	protein kinase c iota type	0.1609	0.7388	0.7388
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0618	0.1309	0.1309
Schistosoma mansoni	diacylglycerol kinase theta	0.0497	0.057	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0583	0.1097	0.097
Loa Loa (eye worm)	hypothetical protein	0.0569	0.1012	0.0884
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0618	0.1309	0.1185
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0574	0.1039	0.0911
Brugia malayi	hypothetical protein	0.101	0.3716	0.3626
Echinococcus granulosus	protein kinase c eta type	0.0497	0.057	0.057
Schistosoma mansoni	serine/threonine protein kinase	0.0618	0.1309	0.1179
Schistosoma mansoni	phosphorylase B kinase beta kpbb	0.0678	0.1676	0.1551
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0428	0.0148	0.0007
Brugia malayi	Protein kinase domain containing protein	0.0521	0.0718	0.0585
Onchocerca volvulus		0.0569	0.1012	0.0284
Echinococcus multilocularis	phosphorylase kinase gamma subunit	0.0607	0.1245	0.1245
Schistosoma mansoni	serine/threonine protein kinase	0.0497	0.057	0.0429
Schistosoma mansoni	hypothetical protein	0.0497	0.057	0.0429
Brugia malayi	Hr1 repeat family protein	0.0618	0.1309	0.1185
Echinococcus granulosus	serine:threonine protein kinase N2	0.0618	0.1309	0.1309
Schistosoma mansoni	serine/threonine protein kinase	0.0618	0.1309	0.1179
Echinococcus multilocularis	serine:threonine protein kinase	0.0668	0.1616	0.1616
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Loa Loa (eye worm)	hypothetical protein	0.055	0.0891	0.0761
Schistosoma mansoni	vav2	0.0516	0.0683	0.0544
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0618	0.1309	0.1309
Echinococcus multilocularis	myosin light chain kinase, smooth muscle	0.0668	0.1616	0.1616
Echinococcus granulosus	unc 13 munc13	0.0569	0.1012	0.1012
Schistosoma mansoni	serine/threonine protein kinase	0.0607	0.1245	0.1114
Mycobacterium ulcerans	glycosyl hydrolase	0.0427	0.0141	0.5
Brugia malayi	Protein kinase domain containing protein	0.0618	0.1309	0.1185
Echinococcus multilocularis	serine threonine protein kinase	0.1488	0.6646	0.6646
Brugia malayi	Protein kinase domain containing protein	0.0636	0.1422	0.13
Brugia malayi	Protein kinase domain containing protein	0.0618	0.1309	0.1185
Echinococcus granulosus	N chimaerin	0.0497	0.057	0.057
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0891	0.2984	1
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0497	0.057	0.0436
Brugia malayi	RhoGAP domain containing protein	0.0497	0.057	0.0436
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.1052	0.3971	0.3885
Giardia lamblia	Kinase, AGC PKA	0.0428	0.0148	0.5
Echinococcus granulosus	phosphorylase b kinase regulatory	0.101	0.3716	0.3716
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0569	0.1012	0.1012
Echinococcus granulosus	myotubularin protein 13	0.0516	0.0683	0.0683
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0497	0.057	0.057
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0428	0.0148	0.0007
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0497	0.057	0.057
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0799	0.2417	0.2417
Trichomonas vaginalis	AGC family protein kinase	0.0618	0.1309	0.9114
Echinococcus multilocularis	myotubularin protein 13	0.0516	0.0683	0.0683
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0428	0.0148	0.5
Echinococcus granulosus	Rac GTPase activating protein 1	0.0497	0.057	0.057
Loa Loa (eye worm)	hypothetical protein	0.1864	0.8946	0.8931
Brugia malayi	Ras association domain family 1 isoform A	0.0497	0.057	0.0436
Onchocerca volvulus		0.1246	0.516	1
Brugia malayi	RhoGAP domain containing protein	0.0497	0.057	0.0436
Brugia malayi	Protein kinase domain containing protein	0.0607	0.1245	0.112
Loa Loa (eye worm)	CAMK/PHK protein kinase	0.0607	0.1245	0.112
Loa Loa (eye worm)	hypothetical protein	0.101	0.3716	0.3626
Schistosoma mansoni	rac gtpase activating protein	0.0497	0.057	0.0429
Trichomonas vaginalis	AGC family protein kinase	0.0636	0.1422	1
Schistosoma mansoni	protein kinase C mu	0.0497	0.057	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0497	0.057	0.0436
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0618	0.1309	0.1185
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0636	0.1422	0.13
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0521	0.0718	0.0718
Loa Loa (eye worm)	hypothetical protein	0.101	0.3716	0.3626
Schistosoma mansoni	serine/threonine protein kinase	0.0618	0.1309	0.1179

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: CHEMBL484917

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 985101