Detailed information for compound 1452535

Basic information

Technical information
  • TDR Targets ID: 1452535
  • Name: 1-(oxolan-2-yl)-N-[(4-prop-2-enoxyphenyl)meth yl]methanamine hydrochloride
  • MW: 283.794 | Formula: C15H22ClNO2
  • H donors: 1 H acceptors: 0 LogP: 3.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccc(cc1)CNCC1CCCO1.Cl
  • InChi: 1S/C15H21NO2.ClH/c1-2-9-17-14-7-5-13(6-8-14)11-16-12-15-4-3-10-18-15;/h2,5-8,15-16H,1,3-4,9-12H2;1H
  • InChiKey: LZZMKPMRQMBUGW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-allyloxyphenyl)methyl]-1-tetrahydrofuran-2-yl-methanamine hydrochloride
  • N-[(4-allyloxyphenyl)methyl]-1-(2-tetrahydrofuranyl)methanamine hydrochloride
  • (4-allyloxybenzyl)-(tetrahydrofurfuryl)amine hydrochloride
  • (4-Allyloxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-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
Brugia malayi Latrophilin receptor protein 2 0.0093 0.1804 0.1804
Schistosoma mansoni glutaminase 0.0265 0.8791 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1168 0.1688
Brugia malayi MH2 domain containing protein 0.0116 0.2733 0.2733
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.6027 0.6027
Loa Loa (eye worm) RNA binding protein 0.0197 0.6027 0.6027
Schistosoma mansoni tar DNA-binding protein 0.0197 0.6027 0.6856
Loa Loa (eye worm) hypothetical protein 0.0294 1 1
Leishmania major hypothetical protein, conserved 0.0219 0.6919 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0294 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0219 0.6919 1
Schistosoma mansoni tar DNA-binding protein 0.0197 0.6027 0.6856
Schistosoma mansoni hypothetical protein 0.0093 0.1804 0.2052
Echinococcus multilocularis GPCR, family 2 0.0093 0.1804 0.2993
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0093 0.1804 0.2993
Brugia malayi latrophilin 2 splice variant baaae 0.0201 0.6206 0.6206
Leishmania major hypothetical protein, conserved 0.0077 0.1168 0.1688
Mycobacterium ulcerans glutaminase 0.0265 0.8791 0.5
Schistosoma mansoni hypothetical protein 0.0093 0.1804 0.2052
Brugia malayi hypothetical protein 0.0077 0.1168 0.1168
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.6027 0.6027
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.1168 0.1688
Loa Loa (eye worm) hypothetical protein 0.0077 0.1168 0.1168
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0093 0.1804 0.2993
Schistosoma mansoni tar DNA-binding protein 0.0197 0.6027 0.6856
Schistosoma mansoni tar DNA-binding protein 0.0197 0.6027 0.6856
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0093 0.1804 0.2993
Schistosoma mansoni tar DNA-binding protein 0.0197 0.6027 0.6856
Trichomonas vaginalis glutaminase, putative 0.0265 0.8791 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0 0.5
Schistosoma mansoni hypothetical protein 0.0201 0.6206 0.706
Loa Loa (eye worm) hypothetical protein 0.0093 0.1804 0.1804
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0093 0.1804 0.1804
Brugia malayi TAR-binding protein 0.0197 0.6027 0.6027
Brugia malayi glutaminase DH11.1 0.0265 0.8791 0.8791
Echinococcus granulosus GPCR family 2 0.0093 0.1804 0.2993
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2733 0.2733
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.1168 1
Echinococcus granulosus tar DNA binding protein 0.0197 0.6027 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0294 1 1
Loa Loa (eye worm) glutaminase 2 0.0265 0.8791 0.8791
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1168 1
Brugia malayi hypothetical protein 0.005 0.0049 0.0049
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2733 0.2733
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.1168 1
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.6919 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1168 1
Loa Loa (eye worm) TAR-binding protein 0.0197 0.6027 0.6027
Loa Loa (eye worm) hypothetical protein 0.0201 0.6206 0.6206
Schistosoma mansoni hypothetical protein 0.0093 0.1804 0.2052
Brugia malayi RNA binding protein 0.0197 0.6027 0.6027
Loa Loa (eye worm) glutaminase 0.0265 0.8791 0.8791
Trypanosoma cruzi hypothetical protein, conserved 0.0219 0.6919 1
Echinococcus multilocularis tar DNA binding protein 0.0197 0.6027 1
Schistosoma mansoni hypothetical protein 0.0093 0.1804 0.2052
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0093 0.1804 0.2993
Loa Loa (eye worm) latrophilin receptor protein 2 0.0093 0.1804 0.1804
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1168 0.1688

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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

No literature references available for this target.

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