TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.45 | Formula: C26H22O5
H donors: 0 H acceptors: 1 LogP: 5.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)/C=C\c1ccc2c(c1)cc(c(=O)o2)c1ccc(c(c1)OC)OC
InChi: 1S/C26H22O5/c1-28-21-10-6-17(7-11-21)4-5-18-8-12-23-20(14-18)15-22(26(27)31-23)19-9-13-24(29-2)25(16-19)30-3/h4-16H,1-3H3/b5-4-
InChiKey: MQXZUEKJQWPRFA-PLNGDYQASA-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
Schistosoma mansoni	metabotropic glutamate receptor	0.0076	0.0145	0.0112
Trichomonas vaginalis	cyclins, putative	0.0104	0.1146	1
Entamoeba histolytica	cyclin family protein	0.0104	0.1146	0.4091
Echinococcus granulosus	cyclins	0.0104	0.1146	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1816	0.1767
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.016	0.3112	0.307
Trichomonas vaginalis	cyclin D, putative	0.0104	0.1146	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0105	0.0059
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0075	0.0105	0.0045
Giardia lamblia	Cyclin A	0.0104	0.1146	0.5
Echinococcus multilocularis	serine threonine protein kinase	0.0201	0.4571	0.5934
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0075	0.0105	0.0045
Trichomonas vaginalis	cyclin A, putative	0.0104	0.1146	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0075	0.0105	0.0059
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0105	0.0913
Trichomonas vaginalis	cyclin B, putative	0.0104	0.1146	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.012	0.1692	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0279	0.7347	0.7331
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Echinococcus granulosus	serine:threonine protein kinase N2	0.0143	0.2503	0.3215
Echinococcus granulosus	NDR protein kinase	0.0075	0.0105	0.0059
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0075	0.0105	0.0059
Loa Loa (eye worm)	hypothetical protein	0.012	0.1692	0.1642
Echinococcus multilocularis	cyclin B3 1	0.0104	0.1146	0.1429
Schistosoma mansoni	protein kinase C mu	0.0194	0.4304	0.5584
Trichomonas vaginalis	cyclin B, putative	0.0104	0.1146	1
Entamoeba histolytica	protein kinase, putative	0.0079	0.0252	0.0578
Giardia lamblia	Hypothetical protein	0.0104	0.1146	0.5
Entamoeba histolytica	cyclin, putative	0.0104	0.1146	0.4091
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0104	0.1146	0.5
Echinococcus granulosus	Protein kinase C brain isozyme	0.0268	0.6954	0.907
Entamoeba histolytica	cyclin family protein	0.0104	0.1146	0.4091
Trichomonas vaginalis	cyclin B, putative	0.0104	0.1146	1
Trichomonas vaginalis	cyclins, putative	0.0104	0.1146	1
Leishmania major	cyclin	0.0104	0.1146	0.5
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0076	0.0145	0.0112
Loa Loa (eye worm)	cyclin domain-containing protein	0.0104	0.1146	0.1093
Echinococcus granulosus	serine:threonine protein kinase N2	0.0075	0.0105	0.0059
Brugia malayi	Protein kinase domain containing protein	0.0079	0.0252	0.0195
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0105	0.0913
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0075	0.0105	0.0045
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0147	0.2651	1
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Giardia lamblia	G2/mitotic-specific cyclin B	0.0104	0.1146	0.5
Echinococcus granulosus	cyclins	0.0104	0.1146	0.1429
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Entamoeba histolytica	protein kinase, putative	0.0079	0.0252	0.0578
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0104	0.1146	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1816	0.1767
Echinococcus granulosus	protein kinase c epsilon type	0.0288	0.7661	1
Schistosoma mansoni	serine/threonine protein kinase	0.0268	0.6954	0.907
Schistosoma mansoni	cyclins	0.0104	0.1146	0.1429
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0194	0.4304	0.5557
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0194	0.4304	0.427
Loa Loa (eye worm)	hypothetical protein	0.0279	0.7347	0.7331
Onchocerca volvulus		0.0104	0.1146	0.1491
Trichomonas vaginalis	cyclin B, putative	0.0104	0.1146	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0075	0.0105	0.0045
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0075	0.0105	0.0059
Echinococcus granulosus	cyclin B	0.0104	0.1146	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0191	0.4199	0.4165
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0075	0.0105	0.0045
Echinococcus granulosus	cyclins	0.0104	0.1146	0.1429
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0256	0.6508	0.8475
Echinococcus multilocularis	cyclin b3	0.0104	0.1146	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0279	0.7347	0.7331
Schistosoma mansoni	cyclin B	0.0104	0.1146	0.1429
Echinococcus granulosus	cyclins	0.0104	0.1146	0.1429
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Trypanosoma cruzi	cyclin, putative	0.0104	0.1146	0.5
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0075	0.0105	0.0059
Echinococcus granulosus	cyclins	0.0104	0.1146	0.1429
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0215	0.5052	0.6568
Loa Loa (eye worm)	hypothetical protein	0.0195	0.4347	0.4313
Trypanosoma brucei	mitotic cyclin 6	0.0104	0.1146	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0105	0.0059
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0079	0.0252	0.0193
Toxoplasma gondii	hypothetical protein	0.0079	0.0254	1
Echinococcus granulosus	cyclin b3	0.0104	0.1146	0.1429
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1146	0.1093
Echinococcus granulosus	cyclin B3 1	0.0104	0.1146	0.1429
Onchocerca volvulus		0.0123	0.1816	0.241
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Loa Loa (eye worm)	cyclin domain-containing protein	0.0256	0.6508	0.6487
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.0105	0.0913
Plasmodium falciparum	cyclin	0.0104	0.1146	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0104	0.1146	0.1378
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0075	0.0105	0.0059
Echinococcus granulosus	protein kinase c iota type	0.0226	0.5444	0.7083
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0268	0.6954	0.907
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0145	0.0086
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0288	0.7661	0.7647
Brugia malayi	Protein kinase c protein 2	0.0196	0.4405	0.5692
Onchocerca volvulus		0.0195	0.4347	0.5883
Brugia malayi	protein kinase C3,putative	0.0154	0.2895	0.3693
Trichomonas vaginalis	cyclins, putative	0.0104	0.1146	1
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0105	0.0059
Trichomonas vaginalis	cyclins, putative	0.0104	0.1146	1
Trypanosoma cruzi	cyclin 6, putative	0.0104	0.1146	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Schistosoma mansoni	serine/threonine protein kinase	0.0268	0.6954	0.907
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0104	0.1146	0.1378
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Schistosoma mansoni	serine/threonine protein kinase	0.0075	0.0105	0.0059
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0075	0.0105	0.0059
Trichomonas vaginalis	cyclin B, putative	0.0104	0.1146	1
Schistosoma mansoni	serine/threonine kinase	0.0075	0.0105	0.0059
Echinococcus granulosus	protein kinase C gamma type	0.0201	0.4571	0.5934
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0126	0.192	0.1872
Echinococcus multilocularis	protein kinase c epsilon type	0.0288	0.7661	1
Trichomonas vaginalis	cyclin B3, putative	0.0104	0.1146	1
Trichomonas vaginalis	cyclins, putative	0.0104	0.1146	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0075	0.0105	0.0059
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0076	0.0145	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0347	0.973	0.9729
Schistosoma mansoni	serine/threonine protein kinase	0.0288	0.7661	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0129	0.2022	0.1974
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Brugia malayi	C1-like domain containing protein	0.0194	0.4304	0.5557
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.1146	1
Trypanosoma cruzi	cyclin, putative	0.0104	0.1146	0.5
Echinococcus granulosus	RNA directed DNA polymerase	0.012	0.1692	0.2147
Schistosoma mansoni	atypical protein kinase C	0.0232	0.5661	0.7369
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0075	0.0105	0.0059
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0104	0.1146	0.5
Loa Loa (eye worm)	hypothetical protein	0.0187	0.4076	0.404
Brugia malayi	protein kinase C II.	0.0288	0.7661	1
Schistosoma mansoni	cyclin B3	0.0104	0.1146	0.1429
Echinococcus multilocularis	cyclins	0.0104	0.1146	0.1429
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0104	0.1146	0.1378
Echinococcus multilocularis	cyclin B	0.0104	0.1146	0.1429
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0075	0.0105	0.0045
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.012	0.1692	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1146	0.1093
Onchocerca volvulus		0.0279	0.7347	1
Trichomonas vaginalis	cyclin D, putative	0.0104	0.1146	1
Trichomonas vaginalis	AGC family protein kinase	0.0079	0.0252	0.2196
Echinococcus multilocularis	protein kinase c iota type	0.0226	0.5444	0.7083
Brugia malayi	metabotropic glutamate receptor type 2	0.0076	0.0145	0.0053
Onchocerca volvulus		0.0191	0.4199	0.5681
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0104	0.1146	0.1429
Entamoeba histolytica	cyclin, putative	0.0104	0.1146	0.4091

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: CHEMBL2282868

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 1802283