TDR Targets

Basic information

Technical information

TDR Targets ID: 216365
Name: (2Z,6E)-7,11-dimethyl-3-phenyldodeca-2,6,10-t rien-1-ol
MW: 284.436 | Formula: C20H28O
H donors: 1 H acceptors: 1 LogP: 6.02 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC/C=C(\c1ccccc1)/CC/C=C(/CCC=C(C)C)\C
InChi: 1S/C20H28O/c1-17(2)9-7-10-18(3)11-8-14-20(15-16-21)19-12-5-4-6-13-19/h4-6,9,11-13,15,21H,7-8,10,14,16H2,1-3H3/b18-11+,20-15-
InChiKey: IEGUBJAMDYHTKL-USYSLJQJSA-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

(2Z,6E)-7,11-dimethyl-3-phenyl-dodeca-2,6,10-trien-1-ol
(2Z,6E)-7,11-dimethyl-3-phenyl-1-dodeca-2,6,10-trienol

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
Echinococcus multilocularis	ATP binding cassette sub family B	0.0014	0.6117	0.6117
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.6347	0.6347
Loa Loa (eye worm)	hypothetical protein	0.0018	0.9771	0.9737
Giardia lamblia	ABC transporter, putative	0.0018	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.6347	0.6347
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.6347	0.6347
Schistosoma mansoni	multidrug resistance protein	0.0018	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0014	0.6117	0.6117
Brugia malayi	multidrug resistance related protein 1	0.0018	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.6347	0.6347
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.6347	0.6347
Trypanosoma brucei	p-glycoprotein	0.0018	1	1
Brugia malayi	ABC transporter family protein	0.0014	0.6347	0.2961
Schistosoma mansoni	multidrug resistance protein	0.0018	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.481	0.4046
Trypanosoma brucei	multidrug resistance protein E	0.0018	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	1	1
Trichomonas vaginalis	taga, putative	0.0014	0.6347	1
Entamoeba histolytica	hypothetical protein	0.0018	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.6347	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.6347	0.6347
Loa Loa (eye worm)	hypothetical protein	0.0014	0.6347	0.5809
Schistosoma mansoni	multidrug resistance protein	0.0018	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.6347	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.6347	0.6347
Leishmania major	p-glycoprotein	0.0014	0.6347	0.2961
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Giardia lamblia	MRP-like ABC transporter	0.0018	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.6347	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0014	0.6347	1
Trichomonas vaginalis	abcb9, putative	0.0014	0.6347	1
Echinococcus granulosus	multidrug resistance associated protein 7	0.0018	1	1
Trichomonas vaginalis	abcb9, putative	0.0014	0.6347	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0018	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.481	0.4046
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.6347	0.6347
Brugia malayi	multidrug resistance protein 3	0.0014	0.6347	0.2961
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.481	0.2107
Loa Loa (eye worm)	hypothetical protein	0.0018	1	1
Leishmania major	pentamidine resistance protein 1	0.0018	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.6347	0.6347
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0014	0.6347	0.5809
Onchocerca volvulus		0.0014	0.6347	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.6347	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.6347	0.6347
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0018	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0014	0.6347	0.5
Plasmodium falciparum	multidrug resistance protein 1	0.0014	0.6347	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0018	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.6347	1
Loa Loa (eye worm)	hypothetical protein	0.0018	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0018	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0018	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.6117	0.5546
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	1	1
Schistosoma mansoni	multidrug resistance protein	0.0018	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.6347	0.6347
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.6347	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.6347	0.6347
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0018	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.6347	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.6347	1
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0011	0.3653	0.272
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0.481	0.5
Entamoeba histolytica	ABC transporter, putative	0.0018	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.6347	0.5809
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0014	0.6347	0.2961
Loa Loa (eye worm)	multidrug resistance protein 3	0.0014	0.6347	0.5809
Plasmodium vivax	multidrug resistance protein 1, putative	0.0014	0.6347	0.5
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0011	0.3424	0.3424
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0018	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0018	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0018	1	1
Leishmania major	ABC-thiol transporter	0.0018	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	1	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0014	0.6347	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.6347	0.6347
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0018	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.6347	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0011	0.3424	0.3424
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0018	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.6347	1
Trichomonas vaginalis	abcb9, putative	0.0014	0.6347	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0014	0.6347	1
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0018	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.481	0.4046
Leishmania major	p-glycoprotein e	0.0018	1	1
Entamoeba histolytica	multidrug resistance protein, putative	0.0018	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.6347	0.6347
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.6347	1
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.481	0.2107

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 25 uM	Inhibition of anchorage independent growth of H-Ras(61L)-transformed NIH3T3 fibroblasts in soft agar	ChEMBL.	10508429
IC50 (functional)	> 25 uM	Inhibition of anchorage independent growth of H-Ras(61L)CVLL-transformed NIH3T3 fibroblasts in soft agar	ChEMBL.	10508429
IC50 (functional)	> 25 uM	Inhibition of anchorage independent growth of H-Ras(61L)-transformed NIH3T3 fibroblasts in soft agar	ChEMBL.	10508429
IC50 (functional)	> 25 uM	Inhibition of anchorage independent growth of H-Ras(61L)CVLL-transformed NIH3T3 fibroblasts in soft agar	ChEMBL.	10508429

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

PubChem: 23643118

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 216365