TDR Targets

Basic information

Technical information

TDR Targets ID: 1164964
Name: 2-(aminomethyl)-4-tert-butyl-6-iodo-3-methoxy phenol
MW: 335.181 | Formula: C12H18INO2
H donors: 2 H acceptors: 1 LogP: 3.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(CN)c(O)c(cc1C(C)(C)C)I
InChi: 1S/C12H18INO2/c1-12(2,3)8-5-9(13)10(15)7(6-14)11(8)16-4/h5,15H,6,14H2,1-4H3
InChiKey: WAHXPMLACCWAMI-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

2-(aminomethyl)-4-tert-butyl-6-iodo-3-methoxy-phenol

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
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.4351	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.4376	0.0045
Echinococcus granulosus	lamin dm0	0.0031	1	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.4351	0.4151
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.4376	0.3512
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.4351	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.4376	0.0045
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.4351	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0031	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.4376	0.0045
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.4376	0.4177
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.4376	0.3512
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.4376	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.4376	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.4376	0.3512
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.4351	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.4376	0.4376
Schistosoma mansoni	lamin	0.0031	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.4376	0.3512
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.4351	0.4151
Schistosoma mansoni	lamin	0.0031	1	1
Onchocerca volvulus		0.0031	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.4376	0.3512
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.4351	0.5
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.4351	0.4351
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.4376	0.4177
Toxoplasma gondii	exonuclease III APE	0.0021	0.4351	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.4376	0.4177
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.4376	0.4177
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.4376	0.4177
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.4376	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.4376	0.4376
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.4376	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.4351	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.4376	0.4177
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	1	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.4351	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.4376	0.4177
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.4351	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.4376	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.4376	0.3512
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.4376	0.3512
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.4376	0.4177
Brugia malayi	steroid hormone receptor	0.0021	0.4376	0.3512
Onchocerca volvulus		0.0031	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.4376	0.0045
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.4376	0.4177
Echinococcus multilocularis	lamin dm0	0.0031	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.4376	0.0045
Brugia malayi	nuclear receptor NHR-88	0.0021	0.4376	0.3512
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.4376	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.4376	0.3512
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.4376	0.0045
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.4351	0.5
Echinococcus multilocularis	musashi	0.0031	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.4376	0.4376
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.4376	0.4177
Brugia malayi	nuclear hormone receptor	0.0021	0.4376	0.3512
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.4351	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.4351	0.5
Echinococcus granulosus	intermediate filament protein	0.0031	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.4376	0.4177
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.4376	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.4376	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.4376	0.3512
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.4376	0.3512
Echinococcus granulosus	lamin	0.0031	1	1
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.4376	0.4376
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.4376	0.4177
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.4351	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.4376	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.4376	0.4376
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.4376	0.4177
Schistosoma mansoni	intermediate filament proteins	0.0031	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.4376	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0021	0.4376	0.4376
Loa Loa (eye worm)	hypothetical protein	0.003	0.9658	0.9658
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.4376	0.4376
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0342	0.0342
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.4376	0.0045
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.1333	0.1333
Brugia malayi	ecdysteroid receptor	0.0021	0.4376	0.3512
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.4376	0.4376
Schistosoma mansoni	coup transcription factor	0.0021	0.4376	0.0045
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.4376	0.4177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.4376	0.4376
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.4376	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.4376	0.3512
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.4376	0.3512
Echinococcus multilocularis	lamin	0.0031	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.4351	0.3482
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.4376	0.0045
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.4351	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.4351	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.4376	0.4177

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: CHEMBL1194393

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1164964