TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 500.585 | Formula: C30H32N2O5
H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@@H]1N2CCCCN(C[C@@H]2[C@@H]1c1ccc(cc1)c1ccc(cc1)OC)C(=O)c1ccc2c(c1)OCO2
InChi: 1S/C30H32N2O5/c1-35-24-11-8-21(9-12-24)20-4-6-22(7-5-20)29-25-17-31(14-2-3-15-32(25)26(29)18-33)30(34)23-10-13-27-28(16-23)37-19-36-27/h4-13,16,25-26,29,33H,2-3,14-15,17-19H2,1H3/t25-,26+,29+/m1/s1
InChiKey: UFXRSNFCWVZUQM-ALTZYDRJSA-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
Brugia malayi	Protein kinase domain containing protein	0.1532	0.1405	0.1405
Plasmodium falciparum	casein kinase II beta chain	0.2997	0.4577	0.4577
Echinococcus granulosus	tyrosine protein kinase shark	0.1532	0.1405	0.1405
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Echinococcus granulosus	casein kinase ii subunit alpha	0.5502	1	1
Trypanosoma cruzi	casein kinase II, putative	0.5502	1	1
Echinococcus granulosus	casein kinase ii subunit beta	0.2997	0.4577	0.4577
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Schistosoma mansoni	protein kinase	0.0921	0.0082	0.0082
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.1532	0.1405	0.1405
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Abl	0.1532	0.1405	0.1405
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.5502	1	1
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.2997	0.4577	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.1532	0.1405	0.1405
Plasmodium falciparum	protein kinase, putative	0.0921	0.0082	0.0082
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Brugia malayi	protein-tyrosine kinase	0.1532	0.1405	0.1405
Trypanosoma brucei	protein kinase, putative	0.0921	0.0082	0.0082
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.1532	0.1405	0.1405
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0921	0.0082	0.0082
Echinococcus granulosus	c src tyrosine kinase	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Schistosoma mansoni	protein kinase	0.0921	0.0082	0.0082
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0921	0.0082	0.0082
Echinococcus multilocularis	tyrosine kinase	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus granulosus	tyrosine protein kinase Lyn	0.157	0.1486	0.1486
Brugia malayi	Protein kinase domain containing protein	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.1532	0.1405	0.1405
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0921	0.0082	0.0082
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus multilocularis	c src tyrosine kinase	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Brugia malayi	Protein kinase domain containing protein	0.1532	0.1405	0.1405
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Brugia malayi	SRC-1	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus granulosus	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Onchocerca volvulus		0.1532	0.1405	0.3069
Onchocerca volvulus		0.1532	0.1405	0.3069
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.2997	0.4577	0.4577
Echinococcus multilocularis	casein kinase ii subunit alpha	0.5502	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Onchocerca volvulus		0.1532	0.1405	0.3069
Echinococcus granulosus	tyrosine kinase	0.1532	0.1405	0.1405
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Brugia malayi	Csnk2b protein	0.2997	0.4577	0.4577
Echinococcus multilocularis	tyrosine protein kinase shark	0.1532	0.1405	0.1405
Trypanosoma brucei	Casein kinase II	0.5502	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus granulosus	tyrosine protein kinase ABL1	0.1532	0.1405	0.1405
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.2997	0.4577	0.4577
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.2997	0.4577	0.4577
Loa Loa (eye worm)	TK protein kinase	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Entamoeba histolytica	casein kinase, putative	0.5502	1	1
Schistosoma mansoni	protein kinase	0.0921	0.0082	0.0082
Loa Loa (eye worm)	Csnk2b protein	0.2997	0.4577	0.4577
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Entamoeba histolytica	protein kinase domain containing protein	0.5502	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Srms	0.1532	0.1405	0.1405
Brugia malayi	Protein kinase domain containing protein	0.1532	0.1405	0.1405
Echinococcus multilocularis	casein kinase ii subunit beta	0.2997	0.4577	0.4577
Loa Loa (eye worm)	TK/ABL protein kinase	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus granulosus	activin receptor type	0.0921	0.0082	0.0082
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.1532	0.1405	0.1405
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.1532	0.1405	0.1405
Onchocerca volvulus		0.1532	0.1405	0.3069
Echinococcus granulosus	tyrosine protein kinase Src64B	0.1532	0.1405	0.1405
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.2997	0.4577	0.4577
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.5502	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.2997	0.4577	0.4577
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.1532	0.1405	0.1405
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0921	0.0082	0.0082
Entamoeba histolytica	protein kinase domain containing protein	0.0921	0.0082	0.0082
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.1532	0.1405	0.1405
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Onchocerca volvulus		0.1532	0.1405	0.3069
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.1532	0.1405	0.1405
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.1532	0.1405	0.1405
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405
Toxoplasma gondii	CMGC kinase, CK2 family	0.5502	1	1
Plasmodium vivax	unspecified product	0.5502	1	1
Brugia malayi	Protein kinase domain containing protein	0.1532	0.1405	0.1405
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.2997	0.4577	0.4577
Giardia lamblia	Casein kinase II beta chain	0.2997	0.4577	0.4577
Trichomonas vaginalis	CMGC family protein kinase	0.5502	1	1
Brugia malayi	hypothetical protein	0.1532	0.1405	0.1405
Loa Loa (eye worm)	SRC-1	0.1532	0.1405	0.1405
Brugia malayi	SH2 domain containing protein	0.1532	0.1405	0.1405
Plasmodium vivax	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.1532	0.1405	0.1405
Plasmodium vivax	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Schistosoma mansoni	protein kinase	0.5502	1	1
Plasmodium falciparum	casein kinase II beta chain	0.2997	0.4577	0.4577
Echinococcus granulosus	tyrosine kinase	0.1532	0.1405	0.1405
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.1532	0.1405	0.1405
Echinococcus granulosus	tyrosine protein kinase Blk	0.1532	0.1405	0.1405
Echinococcus granulosus	tyrosine protein kinase Srms	0.1532	0.1405	0.1405
Plasmodium falciparum	casein kinase 2, alpha subunit	0.5502	1	1
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.2997	0.4577	0.4577
Loa Loa (eye worm)	hypothetical protein	0.1532	0.1405	0.1405
Brugia malayi	SH2 domain containing protein	0.1532	0.1405	0.1405
Leishmania major	protein kinase, putative	0.0921	0.0082	0.0082
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.2997	0.4577	1
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.2997	0.4577	0.4577
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.1532	0.1405	0.1405
Giardia lamblia	Kinase, CMGC CK2	0.5502	1	1
Leishmania major	casein kinase II, putative	0.5502	1	1
Echinococcus multilocularis	activin receptor type	0.0921	0.0082	0.0082
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.1532	0.1405	0.1405
Schistosoma mansoni	casein kinase II beta subunit	0.2997	0.4577	0.4577
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0921	0.0082	0.0082
Trichomonas vaginalis	casein kinase II beta chain, putative	0.2997	0.4577	0.4577
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0921	0.0082	0.0082
Toxoplasma gondii	ck2 beta subunit	0.2997	0.4577	0.4577
Schistosoma mansoni	tyrosine kinase	0.1532	0.1405	0.1405
Onchocerca volvulus		0.1532	0.1405	0.3069
Loa Loa (eye worm)	TK/FER protein kinase	0.1532	0.1405	0.1405

Activities

Activity type	Activity value	Assay description	Source	Reference
AbsAC1 (functional)	= 15.87 uM	PubChem BioAssay. Small Molecule Inhibitors of FGF22-Mediated Excitatory Synaptogenesis & Epilepsy Measured in Biochemical System Using RT-PCR - 7012-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2360419

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 1748914