Detailed information for compound 555311

Basic information

Technical information
  • TDR Targets ID: 555311
  • Name: trimethyl(3-phenylpropyl)ammonium
  • MW: 178.294 | Formula: C12H20N+
  • H donors: 0 H acceptors: 0 LogP: 2.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[N+](CCCc1ccccc1)(C)C
  • InChi: 1S/C12H20N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3/q+1
  • InChiKey: RMMVFXHBJMOAJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • trimethyl(3-phenylpropyl)azanium
  • 3-phenylpropyltrimethylammonium
  • trimethyl-(3-phenylpropyl)azanium
  • trimethyl-(3-phenylpropyl)ammonium
  • 25306-98-3
  • Benzenepropanaminium, N,N,N-trimethyl-

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 hypothetical protein 0.0041 0.0097 0.0101
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0212 0.0415
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Loa Loa (eye worm) hypothetical protein 0.0445 0.5121 1
Plasmodium vivax sentrin-specific protease 2, putative 0.0039 0.0071 0.5
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0039 0.0071 0.0139
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.0848 0.1005
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0039 0.0071 0.5
Trichomonas vaginalis Sentrin-specific protease, putative 0.0094 0.075 0.2437
Schistosoma mansoni microtubule-associated protein tau 0.0702 0.8332 1
Schistosoma mansoni caspase-3 (C14 family) 0.0101 0.0839 0.0994
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0116 0.008
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Echinococcus granulosus caspase 3 0.0074 0.0503 0.0468
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0101 0.0839 0.0809
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0829 0.1618
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.5121 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0825 0.9865 0.99
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0829 0.0798
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Echinococcus granulosus microtubule associated protein 2 0.0702 0.8332 0.8326
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.0462
Echinococcus multilocularis sentrin specific protease 7 0.0177 0.1781 0.1757
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0494 0.5738 1
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0829 0.1618
Loa Loa (eye worm) hypothetical protein 0.0227 0.2412 0.471
Echinococcus granulosus expressed conserved protein 0.0094 0.0753 0.0719
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0094 0.075 0.4209
Echinococcus multilocularis caspase 3 0.0074 0.0503 0.0469
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0775 0.9237 1
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0494 0.5738 0.6212
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0094 0.075 0.0886
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Onchocerca volvulus 0.0039 0.0071 0.0411
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0829 0.4654
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.5121 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.5121 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0263 0.2856 0.5576
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0116 0.008
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1365 0.1333
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.1146 0.1118
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0177 0.1781 1
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Echinococcus multilocularis caspase 0.0101 0.0839 0.0809
Trypanosoma cruzi hypothetical protein 0.0094 0.075 0.1344
Loa Loa (eye worm) hypothetical protein 0.0043 0.0116 0.0227
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0116 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.1845 0.6371
Echinococcus multilocularis protein dispatched 1 0.0049 0.0192 0.0156
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Echinococcus multilocularis microtubule associated protein 2 0.0702 0.8332 0.8356
Echinococcus multilocularis expressed conserved protein 0.0137 0.129 0.1263
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.1729 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.5121 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0012 0.0024
Giardia lamblia Sentrin specific protease, putative 0.0039 0.0071 0.5
Echinococcus multilocularis sentrin specific protease 8 0.0094 0.075 0.0718
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0094 0.075 0.1464
Schistosoma mansoni lipoxygenase 0.0088 0.0675 0.0796
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Schistosoma mansoni caspase-7 (C14 family) 0.0101 0.0839 0.0994
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Echinococcus granulosus sentrin specific protease 1 0.0039 0.0071 0.0035
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0494 0.5738 0.6212
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0012 0.0024
Echinococcus granulosus sentrin specific protease 7 0.0177 0.1781 0.1751
Toxoplasma gondii pantoate-beta-alanine ligase 0.0494 0.5738 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0775 0.9237 1
Schistosoma mansoni lipoxygenase 0.0126 0.1146 0.1363
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Echinococcus multilocularis protein patched 0.0043 0.0116 0.008
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0039 0.0071 0.007
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0039 0.0071 0.007
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Echinococcus granulosus expressed conserved protein 0.0137 0.129 0.1258
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.1845 0.6371
Echinococcus granulosus sentrin specific protease 8 0.0094 0.075 0.0716
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Loa Loa (eye worm) hypothetical protein 0.0051 0.0212 0.0415
Schistosoma mansoni patched 1 0.0043 0.0116 0.0125
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.1146 0.1114
Loa Loa (eye worm) Ulp1 protease 0.0094 0.075 0.1464
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0116 0.008
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 0.2856 0.5576
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0101 0.0839 0.0806
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0829 0.0795
Loa Loa (eye worm) Ulp1 protease 0.0039 0.0071 0.0139
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0036 0.0029
Echinococcus multilocularis conserved hypothetical protein 0.0833 0.9964 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0116 0.0227
Echinococcus multilocularis sentrin specific protease 1 0.0039 0.0071 0.0035
Plasmodium falciparum sentrin-specific protease 1 0.0039 0.0071 0.5
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0039 0.0071 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1365 0.1338
Echinococcus granulosus caspase 0.0101 0.0839 0.0806
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0212 0.0415
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Echinococcus multilocularis expressed conserved protein 0.0094 0.0753 0.0722
Brugia malayi CHE-14 protein 0.0043 0.0116 0.0227
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0212 0.0415
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Brugia malayi hypothetical protein 0.0037 0.0036 0.0071
Schistosoma mansoni hypothetical protein 0.0037 0.0036 0.0029
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0177 0.1781 0.2126
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Plasmodium vivax sentrin-specific protease 1, putative 0.0039 0.0071 0.5

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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