TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.908 | Formula: C20H29ClN2O4
H donors: 2 H acceptors: 0 LogP: 3.04 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CNCCNCc2ccc(c(c2)OC)OC)ccc1OC.Cl
InChi: 1S/C20H28N2O4.ClH/c1-23-17-7-5-15(11-19(17)25-3)13-21-9-10-22-14-16-6-8-18(24-2)20(12-16)26-4;/h5-8,11-12,21-22H,9-10,13-14H2,1-4H3;1H
InChiKey: JZAKVLNKJQREHQ-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
Brugia malayi	Animal haem peroxidase family protein	0.2894	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0035	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0035	0.5
Toxoplasma gondii	exonuclease III APE	0.0021	0.0035	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0011	0.0007
Onchocerca volvulus		0.0344	0.1158	0.1148
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0035	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus granulosus	Mastin	0.0344	0.1158	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Onchocerca volvulus		0.0344	0.1158	0.1148
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Onchocerca volvulus	Chorion peroxidase homolog	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Brugia malayi	Blistered cuticle protein 3	0.2894	1	1
Brugia malayi	Trypsin family protein	0.0344	0.1158	0.1155
Echinococcus multilocularis	slit 2 protein	0.0014	0.0011	0.0011
Echinococcus granulosus	fibropellin Ia	0.0014	0.0011	0.0011
Schistosoma mansoni	ap endonuclease	0.0021	0.0035	0.0024
Schistosoma mansoni	lamin	0.0022	0.0039	0.0028
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0014	0.0011	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Brugia malayi	Trypsin family protein	0.0344	0.1158	0.1155
Brugia malayi	notch-like transmembrane receptor	0.0014	0.0011	0.0007
Onchocerca volvulus		0.0344	0.1158	0.1148
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0035	0.0031
Echinococcus multilocularis	protein jagged 1	0.0014	0.0011	0.0011
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Echinococcus multilocularis	lamin dm0	0.0022	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Echinococcus granulosus	neurogenic locus notch protein 4	0.0014	0.0011	0.0011
Loa Loa (eye worm)	animal heme peroxidase	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Echinococcus granulosus	protein jagged 1	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0344	0.1158	0.1155
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0344	0.1158	0.1158
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Echinococcus granulosus	glycoprotein Antigen 5	0.0344	0.1158	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Brugia malayi	Cadherin domain containing protein	0.0014	0.0011	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Brugia malayi	Muscle positioning protein 4	0.0014	0.0011	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0039	0.0039
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0344	0.1158	0.1158
Echinococcus multilocularis	protein jagged 2	0.0014	0.0011	0.0011
Onchocerca volvulus		0.2894	1	1
Onchocerca volvulus	Dual oxidase homolog	0.2894	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.2894	1	1
Echinococcus granulosus	neural cadherin	0.0014	0.0011	0.0011
Onchocerca volvulus		0.2894	1	1
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Onchocerca volvulus	Peroxidasin homolog	0.2894	1	1
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0144	0.0144
Onchocerca volvulus		0.0344	0.1158	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0011	0.0011
Echinococcus granulosus	lamin	0.0022	0.0039	0.0039
Schistosoma mansoni	intermediate filament proteins	0.0022	0.0039	0.0028
Brugia malayi	Animal haem peroxidase family protein	0.2894	1	1
Echinococcus granulosus	protein jagged 2	0.0014	0.0011	0.0011
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0035	0.5
Brugia malayi	Peroxidasin	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Onchocerca volvulus	Peroxidase homolog	0.2894	1	1
Onchocerca volvulus		0.0022	0.0039	0.0028
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0035	0.5
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0011	0.0007
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0035	0.5
Echinococcus multilocularis	lamin	0.0022	0.0039	0.0039
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Brugia malayi	Intermediate filament tail domain containing protein	0.0022	0.0039	0.0035
Loa Loa (eye worm)	Notch2	0.0014	0.0011	0.0011
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0035	0.5
Brugia malayi	intermediate filament protein	0.0022	0.0039	0.0035
Brugia malayi	Animal haem peroxidase family protein	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0022	0.0039	0.0039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0144	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Onchocerca volvulus	Peroxidase homolog	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0012	0.0004	0.0004
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0344	0.1158	0.1158
Onchocerca volvulus		0.0344	0.1158	0.1148
Mycobacterium ulcerans	hypothetical protein	0.0344	0.1158	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0035	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0035	0.0035
Schistosoma mansoni	ap endonuclease	0.0021	0.0035	0.0024
Echinococcus multilocularis	protein jagged 1	0.0014	0.0011	0.0011
Echinococcus granulosus	lamin dm0	0.0022	0.0039	0.0039
Brugia malayi	Cadherin domain containing protein	0.0014	0.0011	0.0007
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Schistosoma mansoni	lamin	0.0022	0.0039	0.0028
Onchocerca volvulus		0.0022	0.0039	0.0028
Schistosoma mansoni	hypothetical protein	0.0344	0.1158	0.1148
Echinococcus granulosus	neurogenic locus protein delta	0.0014	0.0011	0.0011
Echinococcus multilocularis	fibropellin Ia	0.0014	0.0011	0.0011
Echinococcus granulosus	transmembrane protease serine 3	0.0344	0.1158	0.1158
Brugia malayi	Animal haem peroxidase family protein	0.2894	1	1
Schistosoma mansoni	peroxidasin	0.2894	1	1
Brugia malayi	Delta serrate ligand family protein	0.0014	0.0011	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Brugia malayi	Trypsin-like protease protein 5	0.0344	0.1158	0.1155
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Onchocerca volvulus	Peroxidasin homolog	0.2894	1	1
Echinococcus granulosus	enteropeptidase	0.0344	0.1158	0.1158
Loa Loa (eye worm)	trypsin family protein	0.0344	0.1158	0.1158
Schistosoma mansoni	peroxidasin	0.2894	1	1
Echinococcus granulosus	protein jagged 1	0.0014	0.0011	0.0011
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0035	0.0035
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Echinococcus granulosus	intermediate filament protein	0.0022	0.0039	0.0039
Loa Loa (eye worm)	intermediate filament protein	0.0022	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Brugia malayi	GCC2 and GCC3 family protein	0.0014	0.0011	0.0007
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0344	0.1158	0.1158
Loa Loa (eye worm)	animal heme peroxidase	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	animal heme peroxidase	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1158
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Loa Loa (eye worm)	animal heme peroxidase	0.2894	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0144	0.0133
Loa Loa (eye worm)	notch protein	0.0014	0.0011	0.0011
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0035	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0011	0.0011
Echinococcus granulosus	protein jagged 2	0.0014	0.0011	0.0011
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Brugia malayi	Trypsin family protein	0.0344	0.1158	0.1155
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0011	0.0007
Echinococcus multilocularis	musashi	0.0022	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0035	1
Brugia malayi	hypothetical protein	0.0344	0.1158	0.1155
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0035	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0144	0.0144
Brugia malayi	EGF-like domain containing protein	0.0014	0.0011	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus multilocularis	notch	0.0014	0.0011	0.0011
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0014	0.0011	0.0011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0144	0.014
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0144	0.0144
Brugia malayi	Animal haem peroxidase family protein	0.2894	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0344	0.1158	0.1158
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0014	0.0011	0.0011
Echinococcus multilocularis	enteropeptidase	0.0344	0.1158	0.1158
Echinococcus multilocularis	peroxidasin	0.2894	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus granulosus	peroxidasin	0.2894	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0144	0.0144
Onchocerca volvulus		0.0344	0.1158	0.1148
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0344	0.1158	0.1148
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0144	0.0133
Echinococcus multilocularis	Mastin	0.0344	0.1158	0.1158
Schistosoma mansoni	cercarial elastase (S01 family)	0.0344	0.1158	0.1148
Echinococcus multilocularis	glycoprotein Antigen 5	0.0344	0.1158	0.1158
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0344	0.1158	0.1148
Echinococcus granulosus	delta-like protein 1	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0011
Echinococcus granulosus	slit 2 protein	0.0014	0.0011	0.0011
Brugia malayi	Trypsin family protein	0.0344	0.1158	0.1155
Schistosoma mansoni	hypothetical protein	0.0344	0.1158	0.1148
Loa Loa (eye worm)	hypothetical protein	0.2894	1	1
Echinococcus granulosus	notch	0.0014	0.0011	0.0011
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0035	0.5
Echinococcus multilocularis	neural cadherin	0.0014	0.0011	0.0011
Onchocerca volvulus		0.2894	1	1

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: CHEMBL545105

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 1039170