Detailed information for compound 64928

Basic information

Technical information
  • TDR Targets ID: 64928
  • Name: 4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-be nzofuran-5-amine
  • MW: 320.383 | Formula: C17H24N2O4
  • H donors: 1 H acceptors: 0 LogP: 2.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OCCN2CCCCC2)c(N)c(c2c1occ2)OC
  • InChi: 1S/C17H24N2O4/c1-20-14-12-6-10-22-15(12)17(21-2)16(13(14)18)23-11-9-19-7-4-3-5-8-19/h6,10H,3-5,7-9,11,18H2,1-2H3
  • InChiKey: RLMAUTJUSFLYDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4,7-dimethoxy-6-[2-(1-piperidyl)ethoxy]benzofuran-5-amine
  • 4,7-dimethoxy-6-[2-(1-piperidyl)ethoxy]-5-benzofuranamine
  • [4,7-dimethoxy-6-(2-piperidinoethoxy)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
Leishmania major cytochrome p450-like protein 0.004 0.0083 0.0083
Brugia malayi Zinc finger, C2H2 type family protein 0.0463 0.3743 0.3743
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1187 1 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1187 1 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.025 0.1898 0.507
Brugia malayi Cytochrome P450 family protein 0.004 0.0083 0.0083
Loa Loa (eye worm) cytochrome P450 family protein 0.0133 0.0883 0.4823
Trypanosoma brucei cytochrome P450, putative 0.004 0.0083 0.0083
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.004 0.0083 0.0083
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.025 0.1898 0.1898
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0463 0.3743 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1187 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.183 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1187 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.5
Leishmania major dihydroorotate dehydrogenase 0.1187 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.5
Brugia malayi Cytochrome P450 family protein 0.0133 0.0883 0.0883
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.5
Loa Loa (eye worm) CYP4Cod1 0.004 0.0083 0.0455
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0463 0.3743 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.5
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0083 0.0083
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1187 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0463 0.3743 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0083 0.0455
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.3743
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1187 1 1
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0083 0.0083
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.1654 0.904
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.025 0.1898 0.507
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0463 0.3743 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1187 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0463 0.3743 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.1187 1 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.1187 1 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1187 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0463 0.3743 0.5
Brugia malayi Cytochrome P450 family protein 0.004 0.0083 0.0083
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0463 0.3743 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1187 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0083 0.0455

Activities

Activity type Activity value Assay description Source Reference
LD50 (ADMET) = 21 mg kg-1 Toxicity estimated in mouse as LD50 by intravenous administration ChEMBL. 7205883
LD50 (ADMET) = 21 mg kg-1 Toxicity estimated in mouse as LD50 by intravenous administration ChEMBL. 7205883
SRR (functional) 0 % Activity against ouabain-induced ventricular arrhythmia of the compound was measured as percent of sinus rhythm recovery; Inactive ChEMBL. 7205883

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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