TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.49 | Formula: C24H28N2O5
H donors: 1 H acceptors: 3 LogP: 3.33 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)ccc1C1N(CCCN(C)C)C(=O)C(=C1C(=O)c1ccccc1)O
InChi: 1S/C24H28N2O5/c1-25(2)13-8-14-26-21(18-12-11-17(30-3)15-19(18)31-4)20(23(28)24(26)29)22(27)16-9-6-5-7-10-16/h5-7,9-12,15,21,28H,8,13-14H2,1-4H3
InChiKey: DVXANZJXHDDMLS-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	GTP binding nuclear protein Ran	0.0021	0.0111	0.0111
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0635	0.1242
Schistosoma mansoni	hypothetical protein	0.0126	0.3382	0.376
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.002	0.0022
Brugia malayi	PHD-finger family protein	0.0026	0.0252	0.0206
Schistosoma mansoni	ap endonuclease	0.0038	0.0635	0.0706
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0852	0.0947
Brugia malayi	RNA binding protein	0.0072	0.1691	0.2297
Schistosoma mansoni	zinc finger protein	0.002	0.0081	0.009
Loa Loa (eye worm)	RNA binding protein	0.0072	0.1691	0.1879
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0635	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	0.8996	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.1369	0.1369
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.1691	0.1879
Schistosoma mansoni	ran	0.0021	0.0111	0.0123
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0115	0.0128
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0347	0.0559
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0852	0.0852
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0347	0.0347
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0157	0.4336	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0157	0.4336	0.4336
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1484	0.1649
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0635	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0103	0.2653	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0996	0.1108
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0635	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0176	0.0176
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.1691	0.1879
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0103	0.2653	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0347	0.0347
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0242	0.699	0.777
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0635	0.0635
Onchocerca volvulus		0.0049	0.0996	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0157	0.4336	1
Echinococcus granulosus	snurportin 1	0.0306	0.8996	0.8996
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0684	0.076
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0635	0.0706
Brugia malayi	Bromodomain containing protein	0.0039	0.0682	0.083
Echinococcus granulosus	peptidase Clp S14 family	0.0103	0.2653	0.2653
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0635	0.0763
Loa Loa (eye worm)	hypothetical protein	0.0157	0.4336	0.482
Schistosoma mansoni	hypothetical protein	0.0021	0.0115	0.0128
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0635	1
Brugia malayi	Bromodomain containing protein	0.0077	0.186	0.2542
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0178	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0042	0.076	0.0845
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0852	0.0947
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.1691	0.2297
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0852	0.0947
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0054	0.1135	0.2425
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0103	0.2653	0.2653
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0347	0.4498
Plasmodium falciparum	importin beta, putative	0.0029	0.0347	0.0559
Brugia malayi	RNA, U transporter 1	0.0082	0.1995	0.2739
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0852	0.0947
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0157	0.4336	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0176	0.0196
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0852	0.1077
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0852	0.0852
Brugia malayi	TAR-binding protein	0.0072	0.1691	0.2297
Schistosoma mansoni	peptidase Clp (S14 family)	0.0157	0.4336	0.482
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0157	0.4336	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.1691	0.1879
Schistosoma mansoni	ap endonuclease	0.0038	0.0635	0.0706
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.1369	0.1369
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0635	0.0635
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0347	0.0385
Toxoplasma gondii	hypothetical protein	0.0054	0.1135	0.2425
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0111	0.0123
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0103	0.2653	0.4744
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.3382	0.3382
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3698	0.4111
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0178	0.1276
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.1691	0.1879
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	1
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.1691	0.1879
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0635	1
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.1691	0.1691
Loa Loa (eye worm)	transcription factor SMAD2	0.0242	0.699	0.777
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0635	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.3382	0.3382
Echinococcus multilocularis	zinc finger protein	0.002	0.0081	0.0081
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0996	0.1108
Echinococcus multilocularis	snurportin 1	0.0306	0.8996	0.8996
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0821	0.0913
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.3698	0.3698
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0178	0.1276
Toxoplasma gondii	exonuclease III APE	0.0038	0.0635	0.1242
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0347	0.4498
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0852	0.0852
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0178	0.1276
Schistosoma mansoni	importin beta-1	0.0029	0.0347	0.0385
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3698	0.4111
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	1
Echinococcus multilocularis	tumor protein p63	0.0338	1	1
Schistosoma mansoni	ran	0.0021	0.0111	0.0123
Brugia malayi	Importin beta-1 subunit	0.0029	0.0347	0.0343
Brugia malayi	MH2 domain containing protein	0.0242	0.699	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0347	0.0559
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0635	1
Schistosoma mansoni	hypothetical protein	0.0306	0.8996	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0111	0.0111
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0054	0.1135	0.2425
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0852	0.0852
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0038	0.0635	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0178	0.1276
Brugia malayi	Probable ClpP-like protease	0.0157	0.4336	0.6142
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0157	0.4336	0.4336
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0606	0.0606
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0635	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1722	0.1915
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0176	0.0176
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.1691	0.1879
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0606	0.0606
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0157	0.4336	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0178	0.1276
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0054	0.1135	0.135
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.1691	0.1879
Echinococcus granulosus	zinc finger protein	0.002	0.0081	0.0081
Echinococcus granulosus	tar DNA binding protein	0.0072	0.1691	0.1691

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 769933