TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.501 | Formula: C25H28N2O4
H donors: 1 H acceptors: 3 LogP: 3.38 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C1N(CCN2CCOCC2)C(=O)C(=C1C(=O)c1ccc(cc1)C)O
InChi: 1S/C25H28N2O4/c1-17-3-7-19(8-4-17)22-21(23(28)20-9-5-18(2)6-10-20)24(29)25(30)27(22)12-11-26-13-15-31-16-14-26/h3-10,22,29H,11-16H2,1-2H3
InChiKey: XTIAFXZJBDZMPC-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)	hypothetical protein	0.0042	0.076	0.0806
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1483	0.1572
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0053	0.1122	0.236
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.1687	0.1788
Schistosoma mansoni	ran	0.0022	0.0141	0.0149
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.3383	0.3383
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.002	0.0021
Brugia malayi	MH2 domain containing protein	0.0238	0.6928	1
Entamoeba histolytica	hypothetical protein	0.0024	0.0211	0.1344
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0606	0.0606
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0662	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0101	0.2628	1
Brugia malayi	RNA, U transporter 1	0.0085	0.2111	0.2903
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0318	0.9432	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0154	0.4297	1
Schistosoma mansoni	ran	0.0022	0.0141	0.0149
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0135	0.3698	0.3698
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0053	0.1122	0.1266
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.232	0.232
Schistosoma mansoni	importin beta-1	0.003	0.0388	0.0411
Plasmodium falciparum	importin beta, putative	0.003	0.0388	0.0594
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0662	0.1253
Toxoplasma gondii	hypothetical protein	0.0053	0.1122	0.236
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.232	0.3211
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0821	0.087
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0662	0.0767
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0662	0.0662
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0388	0.4738
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.1687	0.1687
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.232	0.246
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	1
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.1687	0.1788
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0662	0.1253
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0388	0.4738
Schistosoma mansoni	zinc finger protein	0.002	0.0081	0.0086
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0141	0.0141
Echinococcus multilocularis	tumor protein p63	0.0336	1	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0176	0.0187
Echinococcus granulosus	peptidase Clp S14 family	0.0101	0.2628	0.2628
Plasmodium vivax	importin-beta 2, putative	0.003	0.0388	0.0594
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0141	0.0149
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0662	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.232	0.232
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0211	0.1344
Brugia malayi	RNA binding protein	0.0071	0.1687	0.2278
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0662	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.1368	0.1368
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0176	0.0176
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0388	0.0594
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0154	0.4297	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0662	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.232	0.232
Loa Loa (eye worm)	hypothetical protein	0.003	0.0388	0.0411
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0101	0.2628	0.2628
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0211	0.1344
Schistosoma mansoni	hypothetical protein	0.0021	0.0115	0.0122
Echinococcus multilocularis	zinc finger protein	0.002	0.0081	0.0081
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0101	0.2628	0.4744
Brugia malayi	Bromodomain containing protein	0.0039	0.0682	0.0797
Toxoplasma gondii	exonuclease III APE	0.0039	0.0662	0.1253
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	0.5
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0388	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0154	0.4297	0.4556
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0606	0.0606
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0053	0.1122	0.236
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0176	0.0176
Echinococcus granulosus	importin subunit beta 1	0.003	0.0388	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1722	0.1825
Brugia malayi	TAR-binding protein	0.0071	0.1687	0.2278
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.1687	0.2278
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0662	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0662	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0684	0.0725
Echinococcus granulosus	tar DNA binding protein	0.0071	0.1687	0.1687
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	0.6928	0.7345
Echinococcus multilocularis	snurportin 1	0.0318	0.9432	0.9432
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1687	0.1788
Schistosoma mansoni	peptidase Clp (S14 family)	0.0154	0.4297	0.4556
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0154	0.4297	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.3383	0.3383
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0662	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	0.6928	0.7345
Brugia malayi	Probable ClpP-like protease	0.0154	0.4297	0.6124
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0211	0.1344
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.3698	0.392
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1687	0.1788
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	1
Schistosoma mansoni	hypothetical protein	0.0318	0.9432	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0154	0.4297	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0997	0.1057
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0662	0.0702
Onchocerca volvulus		0.0049	0.0997	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1687	0.1788
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0997	0.1057
Brugia malayi	Importin beta-1 subunit	0.003	0.0388	0.0364
Brugia malayi	PHD-finger family protein	0.0025	0.0252	0.0164
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1687	0.1788
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.232	0.246
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0154	0.4297	0.4297
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0211	0.1344
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.232	0.246
Schistosoma mansoni	ap endonuclease	0.0039	0.0662	0.0702
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0115	0.0122
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0154	0.4297	0.4297
Echinococcus granulosus	zinc finger protein	0.002	0.0081	0.0081
Brugia malayi	Bromodomain containing protein	0.0077	0.1859	0.2531
Schistosoma mansoni	hypothetical protein	0.0125	0.3383	0.3586
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0141	0.0141
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0662	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.1368	0.1368
Schistosoma mansoni	ap endonuclease	0.0039	0.0662	0.0702
Loa Loa (eye worm)	RNA binding protein	0.0071	0.1687	0.1788
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.1687	0.1788
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0662	0.0662
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.3698	0.392
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0211	0.1344
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.232	0.232
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0101	0.2628	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.232	0.246
Echinococcus granulosus	snurportin 1	0.0318	0.9432	0.9432
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0154	0.4297	0.5

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 769820