TDR Targets

Basic information

Technical information

TDR Targets ID: 660015
Name: 5-chloro-N-[(3-ethoxy-5-iodo-4-methoxyphenyl) methyl]-2-methylaniline
MW: 431.696 | Formula: C17H19ClINO2
H donors: 1 H acceptors: 0 LogP: 5.35 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(CNc2cc(Cl)ccc2C)cc(c1OC)I
InChi: 1S/C17H19ClINO2/c1-4-22-16-8-12(7-14(19)17(16)21-3)10-20-15-9-13(18)6-5-11(15)2/h5-9,20H,4,10H2,1-3H3
InChiKey: LHOGBYLBLIOYKE-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

5-chloro-N-[(3-ethoxy-5-iodo-4-methoxy-phenyl)methyl]-2-methyl-aniline
(5-chloro-2-methyl-phenyl)-(3-ethoxy-5-iodo-4-methoxy-benzyl)amine
ZINC02837922

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	aldo/keto reductase, putative	0.0031	0.0193	0.0312
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0193	0.006
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0361	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0097	0.2144	0.375
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0193	0.0343
Echinococcus multilocularis	geminin	0.0167	0.4214	1
Echinococcus granulosus	aldo keto reductase	0.0031	0.0193	0.0221
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0163	0.4097	0.7278
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0193	0.0343
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0193	0.0343
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0193	0.006
Onchocerca volvulus		0.0031	0.0193	0.0097
Echinococcus granulosus	geminin	0.0167	0.4214	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Giardia lamblia	Aldose reductase	0.0031	0.0193	0.5
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0193	0.0144
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0163	0.4097	0.7278
Onchocerca volvulus		0.0031	0.0193	0.0097
Chlamydia trachomatis	transglycolase/transpeptidase	0.0217	0.5718	1
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0214	0.563	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0193	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0193	0.006
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Onchocerca volvulus		0.0031	0.0193	0.0097
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0193	0.0144
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0193	0.006
Onchocerca volvulus		0.0233	0.6194	1
Plasmodium vivax	SET domain protein, putative	0.0029	0.0134	0.5
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0214	0.563	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Schistosoma mansoni	pol-related	0.0031	0.0193	0.0144
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0193	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0614	0.1245
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0193	0.0312
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0614	0.1176
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0193	0.0312
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0145	0.3574	0.6348
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0214	0.563	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0193	0.006
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Onchocerca volvulus		0.0031	0.0193	0.0097
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0193	0.0312
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0193	0.006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0614	0.0486
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0193	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0614	0.1176
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0193	0.006
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Giardia lamblia	Aldose reductase	0.0031	0.0193	0.5
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0193	0.006
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0614	0.1245
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0193	0.0144
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0145	0.3574	0.6348
Leishmania major	C-8 sterol isomerase-like protein	0.0361	1	1
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0193	0.0144
Trichomonas vaginalis	set domain proteins, putative	0.0233	0.6194	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0614	0.1176
Echinococcus granulosus	aldo keto reductase	0.0031	0.0193	0.0221
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0193	0.5
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0193	0.0144
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0614	0.0486
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0193	0.0312
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0217	0.5718	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.5352	0.5289
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0134	0.0078
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0614	0.1176
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Brugia malayi	Pre-SET motif family protein	0.0205	0.5352	0.5289
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0361	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0361	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.604	0.5986
Onchocerca volvulus		0.0031	0.0193	0.0097
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0193	0.006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0614	0.1176
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Onchocerca volvulus		0.0031	0.0193	0.0097
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.604	0.5986
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0193	0.0312
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0145	0.3574	0.6348
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0185	0.475	0.4678
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0097	0.2144	0.3809
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0217	0.5718	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0193	0.0312
Echinococcus granulosus	hypothetical protein	0.0031	0.0193	0.0221
Schistosoma mansoni	hypothetical protein	0.0167	0.4214	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0193	0.5
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0193	0.006
Schistosoma mansoni	hypothetical protein	0.0167	0.4214	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Echinococcus granulosus	aldo keto reductase	0.0031	0.0193	0.0221
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0193	0.0221
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0193	0.0144

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 660015