Detailed information for compound 1469626

Basic information

Technical information
  • TDR Targets ID: 1469626
  • Name: 1-(methyl-(phenylmethyl)amino)propan-2-yl 3-f luorobenzoate
  • MW: 301.355 | Formula: C18H20FNO2
  • H donors: 0 H acceptors: 1 LogP: 3.84 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1cccc(c1)F)CN(Cc1ccccc1)C
  • InChi: 1S/C18H20FNO2/c1-14(12-20(2)13-15-7-4-3-5-8-15)22-18(21)16-9-6-10-17(19)11-16/h3-11,14H,12-13H2,1-2H3
  • InChiKey: SWTLROFEBUFYHZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [1-methyl-2-(methyl-(phenylmethyl)amino)ethyl] 3-fluorobenzoate
  • 3-fluorobenzoic acid [1-methyl-2-(methyl-(phenylmethyl)amino)ethyl] ester
  • 3-fluorobenzoic acid [2-(benzyl-methyl-amino)-1-methyl-ethyl] ester

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 hypothetical protein 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Echinococcus multilocularis serotonin transporter 0.009 0.2022 0.2022
Loa Loa (eye worm) hypothetical protein 0.0032 0.0539 0.0539
Leishmania major silent information regulator 2, putative 0.0161 0.3841 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0161 0.3841 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Schistosoma mansoni chromatin regulatory protein sir2 0.0067 0.1441 0.1441
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0119 0.0119
Brugia malayi transcriptional regulator, Sir2 family protein 0.0161 0.3841 0.3841
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0067 0.1441 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0161 0.3841 0.3841
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0748 0.0748
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.009 0.2022 0.2022
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0662 0.0662
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0402 1 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0067 0.1441 0.1441
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0067 0.1441 0.0894
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0161 0.3841 0.3447
Echinococcus multilocularis chromatin regulatory protein sir2 0.0161 0.3841 0.3841
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0161 0.3841 0.3841
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0161 0.3841 0.3841
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0402 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0119 0.0119
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0662 0.0662
Mycobacterium ulcerans Sir2-like regulatory protein 0.0067 0.1441 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0402 1 1
Loa Loa (eye worm) norepinephrine transporter 0.009 0.2022 0.2022
Loa Loa (eye worm) transcriptional regulator 0.0067 0.1441 0.1441
Giardia lamblia Hypothetical protein 0.0161 0.3841 0.2804
Loa Loa (eye worm) transcriptional regulator 0.0067 0.1441 0.1441
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0067 0.1441 0.0894
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0662 0.0662
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0119 0.0119
Schistosoma mansoni chromatin regulatory protein sir2 0.0161 0.3841 0.3841
Echinococcus granulosus serotonin transporter 0.009 0.2022 0.2022
Onchocerca volvulus 0.009 0.2022 1
Loa Loa (eye worm) serotonin transporter b 0.009 0.2022 0.2022
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0067 0.1441 0.0894
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0015 0.0119 0.0119
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0067 0.1441 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0161 0.3841 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0119 0.0119
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.009 0.2022 0.2022
Plasmodium vivax NAD-dependent deacetylase, putative 0.0067 0.1441 1
Loa Loa (eye worm) hypothetical protein 0.0402 1 1
Plasmodium vivax hypothetical protein, conserved 0.0067 0.1441 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Toxoplasma gondii histone deacetylase SIR2 0.0067 0.1441 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Schistosoma mansoni chromatin regulatory protein sir2 0.0067 0.1441 0.1441
Echinococcus multilocularis sodium and chloride dependent glycine 0.0015 0.0119 0.0119
Brugia malayi transcriptional regulator, Sir2 family protein 0.0067 0.1441 0.1441
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0119 0.0119
Schistosoma mansoni chromatin regulatory protein sir2 0.0161 0.3841 0.3841
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0662 0.0662
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0119 0.0119
Loa Loa (eye worm) sirtuin 4 0.0067 0.1441 0.1441
Schistosoma mansoni sodium-dependent amino acid transporter 0.0015 0.0119 0.0119
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0067 0.1441 0.1441
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0067 0.1441 0.0894
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0067 0.1441 0.0894
Echinococcus granulosus chromatin regulatory protein sir2 0.0161 0.3841 0.3841
Schistosoma mansoni chromatin regulatory protein sir2 0.0402 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.2022 0.2022
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0119 0.0119
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0161 0.3841 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0748 0.0748
Loa Loa (eye worm) solute carrier family 6 member 4 0.009 0.2022 0.2022
Schistosoma mansoni chromatin regulatory protein sir2 0.0067 0.1441 0.1441
Schistosoma mansoni sodium/chloride dependent transporter 0.009 0.2022 0.2022
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0402 1 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0161 0.3841 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0402 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0161 0.3841 0.3447
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0119 0.0119
Brugia malayi Sodium:neurotransmitter symporter family protein 0.009 0.2022 0.2022
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0067 0.1441 0.1441
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0119 0.0119
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0119 0.0119
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0015 0.0119 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0015 0.0119 0.0119
Loa Loa (eye worm) transcriptional regulator 0.0161 0.3841 0.3841
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0402 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0119 0.0119
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0067 0.1441 0.5
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0067 0.1441 0.1441
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Toxoplasma gondii histone deacetylase SIR2-like 0.0067 0.1441 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0015 0.0119 0.0119
Mycobacterium ulcerans NAD-dependent deacetylase 0.0067 0.1441 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.009 0.2022 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0119 0.0119
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0335 0.8289 0.8289
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.009 0.2022 0.2022
Brugia malayi transcriptional regulator, Sir2 family protein 0.0067 0.1441 0.1441
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0015 0.0119 0.0119
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0161 0.3841 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0119 0.0119

Activities

No activities found for this compound.

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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