Detailed information for compound 1469050

Basic information

Technical information
  • TDR Targets ID: 1469050
  • Name: 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenyl ethanol
  • MW: 230.306 | Formula: C14H18N2O
  • H donors: 2 H acceptors: 1 LogP: 0.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)CNCc1cccn1C
  • InChi: 1S/C14H18N2O/c1-16-9-5-8-13(16)10-15-11-14(17)12-6-3-2-4-7-12/h2-9,14-15,17H,10-11H2,1H3
  • InChiKey: ZNWCAPGISRJAOA-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(1-methylpyrrol-2-yl)methylamino]-1-phenyl-ethanol
  • 2-[(1-methyl-2-pyrrolyl)methylamino]-1-phenylethanol
  • BAS 12425102
  • STK284180
  • 2-{[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-1-phenylethanol
  • AN-465/42886697

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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0267 0.0898
Entamoeba histolytica hypothetical protein 0.0037 0.0116 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0116 0.0364
Loa Loa (eye worm) hypothetical protein 0.0039 0.0132 0.095
Loa Loa (eye worm) hypothetical protein 0.0241 0.1386 1
Brugia malayi Bromodomain containing protein 0.0039 0.0131 0.0636
Brugia malayi Bromodomain containing protein 0.0077 0.0365 0.2378
Brugia malayi hypothetical protein 0.0037 0.0116 0.0519
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0019 0.0136
Onchocerca volvulus 0.0049 0.0193 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0476 0.2853 0.2844
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0116 0.3722
Loa Loa (eye worm) hypothetical protein 0.0072 0.0338 0.2435
Entamoeba histolytica hypothetical protein 0.0037 0.0116 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0193 0.1098
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0116 0.0366
Loa Loa (eye worm) hypothetical protein 0.0044 0.0159 0.1146
Echinococcus multilocularis neuropeptide receptor A26 0.0476 0.2853 0.2844
Schistosoma mansoni hypothetical protein 0.0021 0.0019 0.0242
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0116 0.0104
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0679 0.4114 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0116 0.0104
Schistosoma mansoni hypothetical protein 0.0037 0.0116 0.3722
Loa Loa (eye worm) hypothetical protein 0.0042 0.0147 0.1059
Toxoplasma gondii pantoate-beta-alanine ligase 0.0679 0.4114 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0031 0.0019
Echinococcus granulosus neuropeptide receptor A26 0.0476 0.2853 1
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0679 0.4114 0.5
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0679 0.4114 0.5
Schistosoma mansoni survival motor neuron protein 0.0049 0.0193 0.6515
Echinococcus granulosus neuropeptide s receptor 0.0476 0.2853 1
Schistosoma mansoni hypothetical protein 0.0049 0.0193 0.6515
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0267 0.0256
Echinococcus granulosus survival motor neuron protein 1 0.0241 0.1386 0.4837
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0031 0.0066
Entamoeba histolytica hypothetical protein 0.0037 0.0116 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0241 0.1386 0.1376
Schistosoma mansoni bromodomain containing protein 0.0065 0.029 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0031 0.0679
Entamoeba histolytica hypothetical protein 0.0037 0.0116 0.5
Brugia malayi hypothetical protein 0.0241 0.1386 1

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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