Detailed information for compound 265309

Basic information

Technical information
  • TDR Targets ID: 265309
  • Name: 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3 H-1-benzofuran-5-amine
  • MW: 245.36 | Formula: C16H23NO
  • H donors: 1 H acceptors: 0 LogP: 4.22 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=Cc1c2OC(Cc2c(c(c1C)N)C)(C)C)C
  • InChi: 1S/C16H23NO/c1-9(2)7-12-10(3)14(17)11(4)13-8-16(5,6)18-15(12)13/h7H,8,17H2,1-6H3
  • InChiKey: JMTXTEPTMRXQTL-UHFFFAOYSA-N  

Network

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Synonyms

  • 2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-benzofuran-5-amine
  • [2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)coumaran-5-yl]amine
  • [2,2,4,6-tetramethyl-7-(2-methylprop-1-enyl)-3H-benzofuran-5-yl]amine

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0078 0.0276 0.0276
Brugia malayi neuropeptide F receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni amine GPCR 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0078 0.0276 0.027
Schistosoma mansoni adenoreceptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Loa Loa (eye worm) melatonin receptor type 1A 0.0078 0.0276 0.027
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0078 0.0276 0.0276
Schistosoma mansoni histamine h1 receptor 0.0078 0.0276 0.0276
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0343 0.3053 0.5
Schistosoma mansoni hypothetical protein 0.0078 0.0276 0.0276
Brugia malayi follicle stimulating hormone receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni amine GPCR 0.0078 0.0276 0.0276
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Schistosoma mansoni neuropeptide receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Brugia malayi neuropeptide F receptor 0.0078 0.0276 0.0276
Brugia malayi Melatonin receptor type 1A 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Onchocerca volvulus 0.0078 0.0276 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0343 0.3053 0.5
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Schistosoma mansoni amine GPCR 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Schistosoma mansoni hypothetical protein 0.0078 0.0276 0.0276
Brugia malayi Serotonin receptor 0.0078 0.0276 0.0276
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0276 0.0276
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.1006 1 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0343 0.3053 0.5
Onchocerca volvulus 0.0078 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi Dopamine receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Loa Loa (eye worm) TYRA-2 protein 0.0078 0.0276 0.027
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0343 0.3053 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0078 0.0276 0.0276
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.0276 0.0276
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0078 0.0276 0.0276
Brugia malayi Dopamine receptor protein 2 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.0276 0.0276
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi ORL1-like opioid receptor 0.0078 0.0276 0.0276
Brugia malayi Dopamine receptor protein 1 0.0078 0.0276 0.0276
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.0276 0.027
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Brugia malayi putative neuropeptide receptor NPR1 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0343 0.3053 0.2855
Schistosoma mansoni hypothetical protein 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0078 0.0276 0.0276
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.2134 0.191
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0343 0.3053 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi AKH receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.1006 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi putative neuropeptide receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi G protein-coupled receptor F59B2.13 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0078 0.0276 0.027
Brugia malayi G-protein coupled receptor 0.0078 0.0276 0.0276
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.2134 0.191
Schistosoma mansoni growth hormone secretagogue receptor 0.0078 0.0276 0.0276
Schistosoma mansoni neuropeptide f receptor 76f 0.0078 0.0276 0.0276
Schistosoma mansoni opsin-like receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Schistosoma mansoni neuropeptide receptor 0.0078 0.0276 0.0276
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0343 0.3053 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi GnHR receptor homolog 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Schistosoma mansoni myosin xvIII 0.0078 0.0276 0.0276
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0343 0.3053 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Schistosoma mansoni opsin-like receptor 0.0078 0.0276 0.0276
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.1006 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 0.0276 0.0276
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni opsin-like receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni neuropeptide receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi G protein-coupled receptor 0.0078 0.0276 0.0276
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0078 0.0276 0.0276
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) hypothetical protein 0.0256 0.2134 0.2128
Brugia malayi RE15519p 0.0078 0.0276 0.0276
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0007 0.0007
Schistosoma mansoni alpha-1 adrenergic receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni biogenic amine receptor 0.0078 0.0276 0.0276
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0078 0.0276 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Loa Loa (eye worm) PDE1B protein 0.1006 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni amine GPCR 0.0078 0.0276 0.0276
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0859 0.8458 0.8414
Onchocerca volvulus Neuropeptide F receptor homolog 0.0078 0.0276 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi larval opioid receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Onchocerca volvulus 0.0078 0.0276 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0078 0.0276 0.0276
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0078 0.0276 0.0276
Onchocerca volvulus 0.0078 0.0276 1
Onchocerca volvulus 0.0078 0.0276 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0078 0.0276 0.027
Brugia malayi sulfakinin receptor protein 0.0078 0.0276 0.0276
Brugia malayi G-protein coupled receptor 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0078 0.0276 0.0276
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Schistosoma mansoni amine GPCR 0.0078 0.0276 0.0276
Brugia malayi hypothetical protein 0.0256 0.2134 0.2134
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0078 0.0276 0.0276
Schistosoma mansoni biogenic amine receptor 0.0078 0.0276 0.0276
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0343 0.3053 0.2855
Schistosoma mansoni biogenic amine receptor 0.0078 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0078 0.0276 0.027
Brugia malayi Serotonin receptor 0.0078 0.0276 0.0276

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.3 uM Concentration required to reduce by 50% the amount of lipid peroxide formed in rat liver microsomes ChEMBL. 9046347
ID50 (functional) = 21.9 mg kg-1 Peroral dose required to reduce by 50% the score of excitatory behavior induced by intrathecal injection of ferrous chloride in mice ChEMBL. 9046347
ID50 (functional) = 21.9 mg kg-1 Peroral dose required to reduce by 50% the score of excitatory behavior induced by intrathecal injection of ferrous chloride in mice ChEMBL. 9046347

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

Bibliographic References

1 literature reference was collected for this gene.

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