Detailed information for compound 143467

Basic information

Technical information
  • TDR Targets ID: 143467
  • Name: 4-[3-(diethylamino)prop-1-en-2-yl]phenol
  • MW: 205.296 | Formula: C13H19NO
  • H donors: 1 H acceptors: 1 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CC(=C)c1ccc(cc1)O)CC
  • InChi: 1S/C13H19NO/c1-4-14(5-2)10-11(3)12-6-8-13(15)9-7-12/h6-9,15H,3-5,10H2,1-2H3
  • InChiKey: YBUVUEDJFYLBPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[1-(diethylaminomethyl)vinyl]phenol
  • 4-(3-diethylaminoprop-1-en-2-yl)phenol

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
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0046 0.041 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.2211 0.2197
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.007 0.0864 1
Schistosoma mansoni hypothetical protein 0.0121 0.1829 0.3959
Echinococcus multilocularis geminin 0.0171 0.2773 0.6025
Schistosoma mansoni Smad4 0.0038 0.0258 0.0524
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4591 1
Brugia malayi latrophilin 2 splice variant baaae 0.0262 0.4479 0.4468
Schistosoma mansoni smad1 5 8 and 0.0038 0.0258 0.0524
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.007 0.0864 0.5
Brugia malayi MH1 domain containing protein 0.0038 0.0258 0.024
Loa Loa (eye worm) hypothetical protein 0.0383 0.6762 0.6755
Echinococcus granulosus mothers against decapentaplegic 5 0.0038 0.0258 0.0524
Echinococcus granulosus carboxylesterase 5A 0.0142 0.2211 0.4796
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0121 0.1829 0.3959
Loa Loa (eye worm) hypothetical protein 0.007 0.0864 0.0846
Brugia malayi Latrophilin receptor protein 2 0.0121 0.1829 0.1814
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0121 0.1829 0.3959
Echinococcus granulosus smad 0.0038 0.0258 0.0524
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4591 1
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4591 1
Schistosoma mansoni hypothetical protein 0.0121 0.1829 0.3959
Echinococcus granulosus Smad4 0.0038 0.0258 0.0524
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0121 0.1829 0.3959
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.007 0.0864 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.007 0.0864 0.1848
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0121 0.1829 0.3959
Loa Loa (eye worm) hypothetical protein 0.0142 0.2211 0.2197
Brugia malayi MH2 domain containing protein 0.0038 0.0258 0.024
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.007 0.0864 0.5
Trichomonas vaginalis glutaminase, putative 0.0268 0.4591 0.5
Brugia malayi Smad1 0.0038 0.0258 0.024
Echinococcus multilocularis acetylcholinesterase 0.0142 0.2211 0.4796
Brugia malayi Carboxylesterase family protein 0.0142 0.2211 0.2197
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4591 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.007 0.0864 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.007 0.0864 0.1848
Echinococcus granulosus GPCR family 2 0.0121 0.1829 0.3959
Loa Loa (eye worm) TAR-binding protein 0.0268 0.4591 0.4581
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 0.4591 0.4581
Echinococcus multilocularis peptidase Clp (S14 family) 0.0046 0.041 0.0855
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0046 0.041 0.4744
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0046 0.041 0.5
Schistosoma mansoni hypothetical protein 0.0121 0.1829 0.3959
Brugia malayi TAR-binding protein 0.0268 0.4591 0.4581
Brugia malayi Calcitonin receptor-like protein seb-1 0.0383 0.6762 0.6755
Echinococcus multilocularis tar DNA binding protein 0.0268 0.4591 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0038 0.0258 0.0524
Brugia malayi Probable ClpP-like protease 0.007 0.0864 0.0846
Echinococcus granulosus geminin 0.0171 0.2773 0.6025
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.007 0.0864 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0046 0.041 0.0855
Loa Loa (eye worm) carboxylesterase 0.0142 0.2211 0.2197
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0038 0.0258 0.0524
Loa Loa (eye worm) hypothetical protein 0.0121 0.1829 0.1814
Loa Loa (eye worm) glutaminase 0.0268 0.4591 0.4581
Echinococcus granulosus acetylcholinesterase 0.0142 0.2211 0.4796
Echinococcus multilocularis smad 0.0038 0.0258 0.0524
Brugia malayi RNA binding protein 0.0268 0.4591 0.4581
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.007 0.0864 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.007 0.0864 1
Loa Loa (eye worm) transcription factor SMAD2 0.0555 1 1
Schistosoma mansoni hypothetical protein 0.0262 0.4479 0.9754
Loa Loa (eye worm) MH2 domain-containing protein 0.0038 0.0258 0.024
Schistosoma mansoni hypothetical protein 0.0171 0.2773 0.6025
Echinococcus multilocularis Smad4 0.0038 0.0258 0.0524
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.007 0.0864 1
Brugia malayi RNA recognition motif domain containing protein 0.0268 0.4591 0.4581
Loa Loa (eye worm) hypothetical protein 0.0262 0.4479 0.4468
Echinococcus multilocularis GPCR, family 2 0.0121 0.1829 0.3959
Brugia malayi MH2 domain containing protein 0.0038 0.0258 0.024
Echinococcus granulosus TGF beta signal transducer SmadC 0.0038 0.0258 0.0524
Schistosoma mansoni hypothetical protein 0.0121 0.1829 0.3959
Loa Loa (eye worm) RNA binding protein 0.0268 0.4591 0.4581
Loa Loa (eye worm) acetylcholinesterase 1 0.0142 0.2211 0.2197
Brugia malayi glutaminase DH11.1 0.0268 0.4591 0.4581
Schistosoma mansoni hypothetical protein 0.0171 0.2773 0.6025
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4591 1
Brugia malayi Carboxylesterase family protein 0.0142 0.2211 0.2197
Schistosoma mansoni glutaminase 0.0268 0.4591 1
Schistosoma mansoni peptidase Clp (S14 family) 0.007 0.0864 0.1848
Schistosoma mansoni smad1 5 8 and 0.0038 0.0258 0.0524
Echinococcus granulosus acetylcholinesterase 0.0142 0.2211 0.4796
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0038 0.0258 0.0524
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0142 0.2211 0.4796
Echinococcus granulosus tar DNA binding protein 0.0268 0.4591 1
Loa Loa (eye worm) glutaminase 2 0.0268 0.4591 0.4581
Brugia malayi MH1 domain containing protein 0.0038 0.0258 0.024
Mycobacterium ulcerans glutaminase 0.0268 0.4591 1
Loa Loa (eye worm) Smad1 0.0038 0.0258 0.024
Echinococcus multilocularis acetylcholinesterase 0.0142 0.2211 0.4796
Echinococcus multilocularis carboxylesterase 5A 0.0142 0.2211 0.4796
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0121 0.1829 0.1814
Loa Loa (eye worm) MH2 domain-containing protein 0.0555 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0383 0.6762 0.6755
Schistosoma mansoni smad 0.0038 0.0258 0.0524
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0383 0.6762 0.6755
Schistosoma mansoni smad1 5 8 and 0.0038 0.0258 0.0524
Loa Loa (eye worm) latrophilin receptor protein 2 0.0121 0.1829 0.1814
Loa Loa (eye worm) MH1 domain-containing protein 0.0038 0.0258 0.024

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 202 uM Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter ChEMBL. 12801224
Ki (binding) = 202 uM Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter ChEMBL. 12801224
Ratio (binding) = 0.15 Km DA/Ki ratio was determined by different ghost preparations ChEMBL. 12801224
Ratio (binding) = 0.15 Km DA/Ki ratio was determined by different ghost preparations ChEMBL. 12801224

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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