TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.497 | Formula: C25H26N4O6
H donors: 2 H acceptors: 4 LogP: 1.77 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C[C@@H]1CC[C@@H]2[C@H](O1)COc1c(C(=O)N2C)cc(cc1)NC(=O)Nc1cccc(c1)C#N
InChi: 1S/C25H26N4O6/c1-29-20-8-7-18(12-23(30)33-2)35-22(20)14-34-21-9-6-17(11-19(21)24(29)31)28-25(32)27-16-5-3-4-15(10-16)13-26/h3-6,9-11,18,20,22H,7-8,12,14H2,1-2H3,(H2,27,28,32)/t18-,20+,22+/m0/s1
InChiKey: UPHQFLPMCJNZKA-CZTZKLFOSA-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)	Csnk2b protein	0.394	0.5554	0.5527
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0205	0.0171	0.0168
Entamoeba histolytica	protein kinase, putative	0.0128	0.006	0.0058
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0205	0.0171	0.0168
Schistosoma mansoni	sodium/chloride dependent transporter	0.0108	0.0031	0.0028
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Brugia malayi	Tyrosine-protein kinase abl-1	0.0719	0.0912	0.0805
Echinococcus granulosus	casein kinase ii subunit alpha	0.7025	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0205	0.0171	0.0168
Echinococcus multilocularis	casein kinase ii subunit alpha	0.7025	1	1
Plasmodium vivax	unspecified product	0.7025	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.394	0.5554	0.5553
Schistosoma mansoni	tyrosine kinase	0.0205	0.0171	0.0168
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0205	0.0171	0.0168
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.394	0.5554	0.5553
Loa Loa (eye worm)	hypothetical protein	0.0353	0.0384	0.0326
Echinococcus granulosus	serotonin transporter	0.0353	0.0384	0.0381
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0167	0.0116	0.0113
Treponema pallidum	sodium- and chloride- dependent transporter	0.0353	0.0384	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Loa Loa (eye worm)	hypothetical protein	0.0353	0.0384	0.0326
Echinococcus multilocularis	casein kinase ii subunit beta	0.394	0.5554	0.5553
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0167	0.0116	0.0113
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Brugia malayi	Csnk2b protein	0.394	0.5554	0.5502
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Loa Loa (eye worm)	casein kinase II	0.1151	0.1534	0.1483
Echinococcus granulosus	tyrosine protein kinase ABL1	0.17	0.2326	0.2324
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0156	0.01	0.0098
Echinococcus granulosus	casein kinase ii subunit beta	0.394	0.5554	0.5553
Toxoplasma gondii	CMGC kinase, CK2 family	0.7025	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Echinococcus multilocularis	serotonin transporter	0.0353	0.0384	0.0381
Giardia lamblia	Casein kinase II beta chain	0.394	0.5554	0.4748
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1151	0.1534	0.1533
Echinococcus granulosus	tyrosine kinase	0.0167	0.0116	0.0113
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Loa Loa (eye worm)	SRC-1	0.0205	0.0171	0.0112
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0205	0.0171	0.0168
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Plasmodium falciparum	casein kinase 2, alpha subunit	0.7025	1	1
Loa Loa (eye worm)	serotonin transporter b	0.0353	0.0384	0.0326
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.1151	0.1534	0.1533
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0167	0.0116	0.0113
Schistosoma mansoni	protein kinase	0.7025	1	1
Onchocerca volvulus		0.0353	0.0384	0.0692
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0205	0.0171	0.0168
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0205	0.0171	0.0168
Brugia malayi	Tyrosine-protein kinase abl-1	0.1019	0.1344	0.1242
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0156	0.01	0.0098
Schistosoma mansoni	tyrosine kinase	0.1661	0.2269	0.2267
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Schistosoma mansoni	sodium/chloride dependent transporter	0.0353	0.0384	0.0381
Trypanosoma brucei	Casein kinase II	0.7025	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0353	0.0384	0.0326
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.394	0.5554	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.7025	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Loa Loa (eye worm)	TK protein kinase	0.0167	0.0116	0.0057
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0353	0.0384	0.0271
Brugia malayi	casein kinase II, putaitve	0.1151	0.1534	0.1435
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.17	0.2326	0.2324
Loa Loa (eye worm)	hypothetical protein	0.0353	0.0384	0.0326
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Giardia lamblia	Kinase, CMGC CK2	0.7025	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0253	0.0241	0.0238
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0167	0.0116	0.0113
Schistosoma mansoni	casein kinase II beta subunit	0.394	0.5554	0.5553
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.394	0.5554	1
Trypanosoma cruzi	casein kinase II, putative	0.7025	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.17	0.2326	0.228
Schistosoma mansoni	tyrosine kinase	0.0205	0.0171	0.0168
Entamoeba histolytica	casein kinase, putative	0.7025	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Echinococcus granulosus	tyrosine protein kinase HCK	0.0128	0.006	0.0057
Entamoeba histolytica	protein kinase domain containing protein	0.7025	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0205	0.0171	0.0168
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0205	0.0171	0.0168
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0128	0.006	0.0057
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.394	0.5554	0.5553
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0205	0.0171	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0642	0.0801	0.0745
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0205	0.0171	0.0168
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.7025	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0167	0.0116	0.0113
Leishmania major	casein kinase II, putative	0.7025	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0719	0.0912	0.0909
Trichomonas vaginalis	CMGC family protein kinase	0.7025	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0353	0.0384	0.0381
Trichomonas vaginalis	casein kinase II beta chain, putative	0.394	0.5554	0.4748
Loa Loa (eye worm)	norepinephrine transporter	0.0353	0.0384	0.0326
Brugia malayi	SRC-1	0.0205	0.0171	0.0056

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: CHEMBL2359578

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1750693