TDR Targets

Basic information

Technical information

TDR Targets ID: 24387
Name: methyl 2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydrox yphenyl)-2-methoxy-2-oxoethyl]amino]ethylamin o]acetate
MW: 388.414 | Formula: C20H24N2O6
H donors: 4 H acceptors: 4 LogP: 2.99 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C(c1ccccc1O)NCCNC(c1ccccc1O)C(=O)OC
InChi: 1S/C20H24N2O6/c1-27-19(25)17(13-7-3-5-9-15(13)23)21-11-12-22-18(20(26)28-2)14-8-4-6-10-16(14)24/h3-10,17-18,21-24H,11-12H2,1-2H3
InChiKey: USRBZNLQBVIVDK-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

methyl 2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-methoxy-2-oxo-ethyl]amino]ethylamino]acetate
2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-methoxy-2-oxoethyl]amino]ethylamino]acetic acid methyl ester
methyl 2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-methoxy-2-oxo-ethyl]amino]ethylamino]ethanoate
2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-keto-2-methoxy-ethyl]amino]ethylamino]acetic acid methyl ester
90044-13-6
GLYCINE, N,N'-ETHYLENEBIS(2-(o-HYDROXYPHENYL)-, DIMETHYL ESTER
N,N'-Ethylenebis(2-(o-hydroxyphenyl)glycine) dimethyl ester
BRN 5653895

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
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0189	0.017
Brugia malayi	beta-lactamase family protein	0.0036	0.0086	0.0681
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0049	0.0301
Brugia malayi	ecdysteroid receptor	0.0027	0.0049	0.0301
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0049	0.0491
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0086	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Brugia malayi	PAS domain containing protein	0.0051	0.0153	0.1377
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0086	0.0066
Brugia malayi	beta-lactamase	0.0036	0.0086	0.0681
Echinococcus multilocularis	thyroid hormone receptor alpha	0.015	0.0585	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0049	0.3854
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0049	0.0301
Echinococcus granulosus	single minded 2	0.0038	0.0095	0.0086
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.0992	1
Plasmodium falciparum	succinyl-CoA synthetase alpha subunit, putative	0.002	0.0019	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0049	0.0518
Brugia malayi	hypoxia-induced factor 1	0.0158	0.062	0.618
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.0466	0.7907
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0086	0.0066
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0086	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0086	0.0066
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0189	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0049	0.0301
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0049	0.0518
Onchocerca volvulus		0.0038	0.0095	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0086	0.0864
Onchocerca volvulus		0.0027	0.0049	0.3854
Onchocerca volvulus		0.0036	0.0086	0.8716
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0049	0.3854
Mycobacterium ulcerans	lipase LipD	0.0036	0.0086	0.0066
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0049	0.0033
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0049	0.0491
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0049	0.0518
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.0466	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0086	0.0066
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0445	0.4489
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0049	0.0518
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0049	0.0033
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0086	0.0681
Schistosoma mansoni	coup transcription factor	0.0027	0.0049	0.0518
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0086	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0049	0.0518
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.2308	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0086	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0086	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0049	0.0033
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0445	0.4489
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0049	0.0301
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0128	0.0122
Schistosoma mansoni	thyroid hormone receptor	0.015	0.0585	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0049	0.0518
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0189	0.2998
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0189	0.017
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0049	0.0033
Loa Loa (eye worm)	succinate-CoA ligase	0.002	0.0019	0.0196
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0086	0.0864
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0049	0.0518
Brugia malayi	nuclear hormone receptor	0.0027	0.0049	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0049	0.0301
Brugia malayi	MH2 domain containing protein	0.0118	0.0445	0.4378
Onchocerca volvulus		0.0036	0.0086	0.8716
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0128	0.1915
Loa Loa (eye worm)	ATP-citrate synthase	0.013	0.0498	0.5023
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0158	0.062	0.6255
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0049	0.0518
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0086	0.0066
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0086	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0049	0.0301
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0049	0.0301
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0049	0.0491
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0086	1
Echinococcus granulosus	Solute carrier family 22 5	0.2045	0.8856	1
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0049	0.0518
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0086	0.0075
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0086	0.1172
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0049	0.0301
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.2308	1	1
Toxoplasma gondii	ATP-citrate lyase, putative	0.013	0.0498	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0049	0.0033
Brugia malayi	bHLH-PAS transcription factor	0.0038	0.0095	0.0781
Brugia malayi	steroid hormone receptor	0.0027	0.0049	0.0301
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0049	0.0033
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0189	0.2998
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0049	0.0301
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0086	1
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0066	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Mycobacterium ulcerans	putative regulatory protein	0.0038	0.0095	0.0076
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0049	0.0518
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0128	0.1915
Leishmania major	hypothetical protein, conserved	0.0036	0.0086	0.3908
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0086	0.0066
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0049	0.0491
Trichomonas vaginalis	esterase, putative	0.0036	0.0086	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0189	0.017
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0049	0.0518
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0049	0.0518
Onchocerca volvulus		0.0036	0.0086	0.8716
Echinococcus multilocularis	transfer RNA-Lys	0.0038	0.0095	0.1344
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0128	0.1287
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0086	0.0066
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0049	0.0491
Schistosoma mansoni	thyroid hormone receptor	0.015	0.0585	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0049	0.0033
Schistosoma mansoni	aryl hydrocarbon receptor	0.0051	0.0153	0.2369
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0049	0.0491
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0049	0.0518
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0066	0.0661
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0086	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0049	0.0301
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0086	0.0066
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0128	0.1915
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0049	0.0301
Schistosoma mansoni	ATP-citrate synthase	0.0114	0.0429	0.7239
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0189	0.2998
Wolbachia endosymbiont of Brugia malayi	succinyl-CoA synthetase, alpha subunit	0.002	0.0019	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0086	0.0066
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0049	0.0301
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0086	0.0066
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0086	0.0066
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.0992	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0049	0.0491
Brugia malayi	hypothetical protein	0.0171	0.0678	0.6776
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0189	0.354
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0049	0.0518
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0086	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0189	0.017
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0086	0.1172
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0049	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0189	0.0192
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0128	0.1915
Toxoplasma gondii	ABC1 family protein	0.0036	0.0086	0.1383
Loa Loa (eye worm)	hypothetical protein	0.0171	0.0678	0.6839
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0049	0.0518
Brugia malayi	beta-lactamase family protein	0.0036	0.0086	0.0681
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0049	0.0033
Schistosoma mansoni	single-minded	0.0051	0.0153	0.2369
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0049	0.0518
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0049	0.3854
Brugia malayi	ATP-citrate synthase	0.013	0.0498	0.4923
Schistosoma mansoni	hypothetical protein	0.0123	0.0466	0.7907
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0049	0.0518
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0086	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0086	0.0864
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0086	0.0066
Chlamydia trachomatis	succinyl-CoA ligase subunit alpha	0.002	0.0019	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0128	0.1113
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0049	0.0301
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0128	0.1915
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0049	0.0301
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0086	0.0066
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0128	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0049	0.0491
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0086	0.1172
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0049	0.0491
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0049	0.0301
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0049	0.0301
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0086	0.0066
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0049	0.0301
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.0922	0.0904
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0049	0.0033

Activities

Activity type	Activity value	Assay description	Source	Reference
Iron change (functional)	= 89 %	Percent change in iron levels was determined in feces using iron overload rat model where the route of administration of the compound is Peroral	ChEMBL.	3806573
Iron change (functional)	= 104 %	Percent change in iron levels was determined in feces using iron overload rat model where the route of administration of the compound is Intraperitoneal	ChEMBL.	3806573
Iron change (functional)	= 115 %	Percent change in iron levels was determined in urine using iron overload rat model where the route of administration of the compound is Peroral	ChEMBL.	3806573
Iron change (functional)	= 188 %	Percent change in iron levels was determined in urine using iron overload rat model where the route of administration of the compound is Intraperitoneal	ChEMBL.	3806573
LD50 (ADMET)	>= 800 mg kg-1	Compound was evaluated for lethal dose after intraperitoneal administration using iron overload rat model	ChEMBL.	3806573

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: CHEMBL279882
PubChem: 56033

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 24387