TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 508.993 | Formula: C28H29ClN2O5
H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC(CN1CCN(CC1)CCOc1ccccc1)COc1cccc2c1oc1cc(Cl)ccc1c2=O
InChi: 1S/C28H29ClN2O5/c29-20-9-10-23-26(17-20)36-28-24(27(23)33)7-4-8-25(28)35-19-21(32)18-31-13-11-30(12-14-31)15-16-34-22-5-2-1-3-6-22/h1-10,17,21,32H,11-16,18-19H2
InChiKey: MPPVQMCVPVTKMQ-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
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Echinococcus multilocularis	chromobox protein 1	0.0085	0.3132	0.4334
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0007	0.001
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0276	0.5
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.1091	0.0837
Entamoeba histolytica	DNA repair and recombination protein, putative	0.0085	0.3146	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.1091	0.1503
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.1091	0.5
Leishmania major	hypothetical protein, conserved	0.0038	0.1091	0.3452
Brugia malayi	CHD4 protein	0.0014	0.0042	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1373
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0085	0.3146	1
Mycobacterium ulcerans	beta-lactamase	0.0038	0.1091	1
Schistosoma mansoni	chromobox protein	0.0014	0.0042	0.0058
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.0085	0.3146	0.4352
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0042	0.0323
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1091	0.1511
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1091	0.3452
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0014	0.0042	0.0058
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0014	0.0042	0.0045
Schistosoma mansoni	chromobox protein	0.0085	0.3132	0.4339
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.1666	0.2113
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.1091	0.0837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1478	0.2047
Plasmodium vivax	hypothetical protein, conserved	0.0014	0.0042	0.0323
Schistosoma mansoni	ap endonuclease	0.0019	0.0276	0.0383
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0013	0.0007	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0904	0.2857
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Brugia malayi	SET domain containing protein	0.0014	0.0042	0.0045
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1091	0.3452
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Brugia malayi	beta-lactamase family protein	0.0038	0.1091	0.1404
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.1666	0.5285
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.1091	0.1411
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0042	0.0112
Plasmodium falciparum	heterochromatin protein 1	0.0014	0.0042	0.13
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Brugia malayi	M-phase phosphoprotein, mpp8	0.0014	0.0042	0.0045
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0276	0.5
Mycobacterium leprae	Probable lipase LipE	0.0038	0.1091	0.5
Echinococcus granulosus	chromobox protein 1	0.0085	0.3132	0.4334
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.1091	0.1404
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0276	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0276	0.0858
Echinococcus multilocularis	Chromobox protein 3	0.0014	0.0042	0.0049
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0276	0.0858
Echinococcus multilocularis	chromobox protein 1	0.0085	0.3132	0.4334
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0014	0.0042	0.0049
Schistosoma mansoni	hypothetical protein	0.0178	0.7218	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0276	0.0373
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.0085	0.3146	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1091	0.0837
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.1091	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0014	0.0042	0.0323
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1091	0.0837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1478	0.2047
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1091	0.0837
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1478	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0085	0.3146	1
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0014	0.0042	0.0058
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0014	0.0042	0.13
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Toxoplasma gondii	exonuclease III APE	0.0019	0.0276	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0014	0.0042	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.1509	0.4784
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Plasmodium vivax	heterochromatin protein 1, putative	0.0014	0.0042	0.0323
Entamoeba histolytica	hypothetical protein, conserved	0.0085	0.3146	1
Brugia malayi	beta-lactamase family protein	0.0038	0.1091	0.1404
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0014	0.0042	0.0049
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.1091	0.0837
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0276	0.0858
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0014	0.0042	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1509	0.1952
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0014	0.0042	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Onchocerca volvulus		0.0038	0.1091	0.1364
Brugia malayi	Heterochromatin protein 1	0.0085	0.3132	0.4048
Entamoeba histolytica	hypothetical protein	0.0014	0.0042	0.0112
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.0085	0.3146	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1091	0.3452
Echinococcus granulosus	Chromobox protein 3	0.0014	0.0042	0.0049
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0042	0.0112
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.1091	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1478	0.2039
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.0085	0.3146	1
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.1091	0.0837
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0276	0.0373
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.0085	0.3146	1
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.1509	0.4784
Echinococcus granulosus	chromobox protein 2	0.0014	0.0042	0.0049
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1091	0.3452
Entamoeba histolytica	hypothetical protein	0.0014	0.0042	0.0112
Brugia malayi	chromobox protein homolog 3	0.0047	0.1509	0.1945
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1091	0.3452
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0276	0.0858
Brugia malayi	beta-lactamase	0.0038	0.1091	0.1404
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Loa Loa (eye worm)	hypothetical protein	0.019	0.7727	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1091	0.3452
Onchocerca volvulus		0.0038	0.1091	0.1364
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0014	0.0042	0.0323
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0014	0.0042	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0904	0.2857
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1478	0.1905
Schistosoma mansoni	hypothetical protein	0.0178	0.7218	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Schistosoma mansoni	chromobox protein	0.0085	0.3132	0.4339
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.0085	0.3146	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0276	0.0383
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.3146	1
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.0085	0.3146	0.4352
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0276	0.0858
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.1091	0.1503
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0014	0.0042	0.0049
Loa Loa (eye worm)	beta-lactamase	0.0038	0.1091	0.1411
Onchocerca volvulus		0.0037	0.1061	0.1326
Giardia lamblia	Rrm3p helicase	0.0085	0.3146	1
Schistosoma mansoni	hypothetical protein	0.0014	0.0042	0.0058
Schistosoma mansoni	chromobox protein	0.0014	0.0042	0.0058
Toxoplasma gondii	'chromo' (CHRromatin Organization MOdifier) domain-containing protein	0.0014	0.0042	0.0323
Trichomonas vaginalis	chromobox protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Loa Loa (eye worm)	CHromoDomain protein family member	0.0014	0.0042	0.0054
Onchocerca volvulus		0.0038	0.1091	0.1364
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Brugia malayi	Valyl-tRNA synthetase	0.0014	0.0042	0.0045
Echinococcus multilocularis	geminin	0.0178	0.7218	1
Trichomonas vaginalis	hypothetical protein	0.0014	0.0042	0.0112
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.1666	0.5285
Echinococcus multilocularis	Chromo domain	0.0014	0.0042	0.0049
Loa Loa (eye worm)	heterochromatin protein 1	0.0085	0.3132	0.4054
Trichomonas vaginalis	chromobox protein, putative	0.0085	0.3132	0.9958
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1091	0.1411
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.1091	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0007	0.0009
Trichomonas vaginalis	chromobox protein, putative	0.0085	0.3132	0.9958
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.1091	1
Entamoeba histolytica	hypothetical protein	0.0014	0.0042	0.0112
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1478	0.2039
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.1509	0.1908
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1478	0.2039
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0276	0.0858
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0276	0.0858
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Brugia malayi	Protein cec-1.	0.0014	0.0042	0.0045
Mycobacterium ulcerans	hypothetical protein	0.0038	0.1091	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.1091	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0276	0.2484
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0042	0.0112
Echinococcus granulosus	chromobox protein 1	0.0085	0.3132	0.4334
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0054
Brugia malayi	N-terminal motif family protein	0.019	0.7727	1
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	esterase, putative	0.0038	0.1091	0.3452
Brugia malayi	hypothetical protein	0.0014	0.0042	0.0045
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0276	0.0357
Schistosoma mansoni	hypothetical protein	0.0085	0.3146	0.4358
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.1091	0.0837
Echinococcus granulosus	geminin	0.0178	0.7218	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.1091	0.3452
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0014	0.0042	0.13
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.1091	0.0837
Loa Loa (eye worm)	helicase	0.0014	0.0042	0.0054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1478	0.2039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1478	0.2047
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.019	0.7727	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1091	0.3452
Mycobacterium ulcerans	lipase LipD	0.0038	0.1091	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1091	0.1511
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0276	0.0349
Echinococcus granulosus	Chromo domain	0.0014	0.0042	0.0049
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0276	0.0858
Trichomonas vaginalis	Heterochromatin protein, putative	0.0014	0.0042	0.0112
Echinococcus multilocularis	chromobox protein 2	0.0014	0.0042	0.0049
Brugia malayi	Associated with TFs and helicases family protein	0.0014	0.0042	0.0045
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0014	0.0042	0.0112
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0014	0.0042	0.0112

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: CHEMBL2365122

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 1748436