TDR Targets

Basic information

Technical information

TDR Targets ID: 849162
Name: 2-[[4-[[2-hydroxy-5-(2,4,4-trimethylpentan-2- yl)phenyl]methyl]piperazin-1-yl]methyl]-4-(2, 4,4-trimethylpentan-2-yl)phenol
MW: 522.805 | Formula: C34H54N2O2
H donors: 2 H acceptors: 2 LogP: 9.16 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CC(c1ccc(c(c1)CN1CCN(CC1)Cc1cc(ccc1O)C(CC(C)(C)C)(C)C)O)(CC(C)(C)C)C
InChi: 1S/C34H54N2O2/c1-31(2,3)23-33(7,8)27-11-13-29(37)25(19-27)21-35-15-17-36(18-16-35)22-26-20-28(12-14-30(26)38)34(9,10)24-32(4,5)6/h11-14,19-20,37-38H,15-18,21-24H2,1-10H3
InChiKey: VIFJFXWZDWEVQJ-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-[[4-[[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]piperazin-1-yl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
2-[[4-[[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenyl]methyl]-1-piperazinyl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
2-[[4-[2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzyl]piperazin-1-yl]methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
BAS 00344492
Oprea1_083609

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
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Onchocerca volvulus		0.0084	0.0298	0.9087
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.0323	0.0273
Echinococcus multilocularis	small conductance calcium activated potassium	0.2366	1	1
Schistosoma mansoni	hypothetical protein	0.0046	0.0137	0.0086
Onchocerca volvulus		0.0081	0.0285	0.8613
Giardia lamblia	Hypothetical protein	0.0174	0.0683	1
Plasmodium vivax	potassium channel, putative	0.0081	0.0285	1
Onchocerca volvulus		0.009	0.0323	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	calcium-activated potassium channel	0.15	0.6317	0.6299
Echinococcus granulosus	twik family of potassium channels	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Echinococcus multilocularis	geminin	0.0161	0.0627	0.0579
Onchocerca volvulus		0.0081	0.0285	0.8613
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0051	0.0051
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0081	0.0285	0.3174
Brugia malayi	hypothetical protein	0.0081	0.0285	0.3174
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Onchocerca volvulus		0.0081	0.0285	0.8613
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Echinococcus multilocularis	calcium activated potassium channel variant	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.009	0.0323	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0898	0.0898
Treponema pallidum	hypothetical protein	0.0036	0.0094	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0786	0.3281	0.3281
Mycobacterium ulcerans	ion transport protein	0.0081	0.0285	1
Loa Loa (eye worm)	uncoordinated protein 58	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0081	0.0285	0.3238
Toxoplasma gondii	ion channel protein	0.0081	0.0285	1
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Onchocerca volvulus		0.0081	0.0285	0.8613
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0051	0.0564
Brugia malayi	CAAX amino terminal protease family protein	0.0174	0.0683	0.7604
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Brugia malayi	Trypsin family protein	0.009	0.0323	0.3594
Brugia malayi	hypothetical protein	0.0225	0.0898	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Onchocerca volvulus		0.0081	0.0285	0.8613
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0081	0.0285	0.0285
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0081	0.0285	0.3174
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Loa Loa (eye worm)	TWK-28 protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	hypothetical protein	0.2366	1	1
Echinococcus granulosus	CAAX prenyl protease 2	0.0174	0.0683	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0081	0.0285	0.0235
Echinococcus granulosus	potassium channel subfamily K 8	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Brugia malayi	hypothetical protein	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus multilocularis	potassium channel subfamily K 8	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0081	0.0285	0.3174
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0081	0.0285	0.3174
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0174	0.0683	0.0635
Echinococcus multilocularis	twik family of potassium channels	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0174	0.0683	1
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	hypothetical protein	0.0161	0.0627	0.0579
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0081	0.0285	0.0285
Mycobacterium ulcerans	transmembrane cation transporter	0.0081	0.0285	1
Schistosoma mansoni	survival motor neuron protein	0.0046	0.0137	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus granulosus	geminin	0.0161	0.0627	0.0579
Echinococcus multilocularis	potassium channel subfamily K 8	0.0081	0.0285	0.0235
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0081	0.0285	1
Brugia malayi	intermediate filament protein	0.0026	0.0051	0.0564
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0174	0.0683	1
Schistosoma mansoni	calcium-activated potassium channel	0.0081	0.0285	0.0235
Onchocerca volvulus		0.0081	0.0285	0.8613
Plasmodium vivax	potassium channel, putative	0.0081	0.0285	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus multilocularis	CAAX prenyl protease 2	0.0174	0.0683	0.0635
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Chlamydia trachomatis	hypothetical protein	0.0036	0.0094	0.5
Onchocerca volvulus		0.0081	0.0285	0.8613
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0174	0.0683	1
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus granulosus	twik family of potassium channels	0.0081	0.0285	0.0235
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0081	0.0285	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0049
Toxoplasma gondii	ion channel protein	0.0081	0.0285	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus multilocularis	survival motor neuron protein 1	0.0225	0.0898	0.0851
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0683	0.0683
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0081	0.0285	0.0285
Plasmodium falciparum	potassium channel	0.0081	0.0285	1
Onchocerca volvulus		0.0046	0.0137	0.3161
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.0323	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0081	0.0285	0.3174
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0174	0.0683	0.0635
Loa Loa (eye worm)	hypothetical protein	0.009	0.0323	0.0323
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0081	0.0285	0.3174
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0051	0.0051
Echinococcus multilocularis	potassium channel subfamily K	0.0081	0.0285	0.0235
Echinococcus granulosus	potassium channel subfamily K 8	0.0081	0.0285	0.0235
Schistosoma mansoni	calcium-activated potassium channel	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	TWK-7 protein	0.0081	0.0285	0.0285
Echinococcus granulosus	survival motor neuron protein 1	0.0225	0.0898	0.0851
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	twik family of potassium channels-related	0.0081	0.0285	0.0235
Schistosoma mansoni	hypothetical protein	0.0081	0.0285	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Schistosoma mansoni	calcium-activated potassium channel	0.2366	1	1
Loa Loa (eye worm)	hypothetical protein	0.2366	1	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0831	0.3472	0.3472
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0669	0.2787	0.2787
Plasmodium falciparum	potassium channel	0.0081	0.0285	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0285	0.0285
Echinococcus granulosus	potassium channel subfamily K	0.0081	0.0285	0.0235
Schistosoma mansoni	hypothetical protein	0.0161	0.0627	0.0579
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0081	0.0285	0.3174
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0174	0.0683	1
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0081	0.0285	0.0235
Echinococcus granulosus	calcium activated potassium channel variant	0.0081	0.0285	0.0235
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0046	0.0137	0.1522
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0081	0.0285	0.3174
Entamoeba histolytica	CAAX prenyl protease family	0.0174	0.0683	1
Onchocerca volvulus		0.0081	0.0285	0.8613
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0081	0.0285	0.3174
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0081	0.0285	0.3174
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0174	0.0683	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 849162