Detailed information for compound 1550326

Basic information

Technical information
  • TDR Targets ID: 1550326
  • Name: N-[(5-methylthiophen-2-yl)methyl]-1-phenyleth anamine
  • MW: 231.356 | Formula: C14H17NS
  • H donors: 1 H acceptors: 0 LogP: 3.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(s1)CNC(c1ccccc1)C
  • InChi: 1S/C14H17NS/c1-11-8-9-14(16-11)10-15-12(2)13-6-4-3-5-7-13/h3-9,12,15H,10H2,1-2H3
  • InChiKey: GCBHJOWYJBACTF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(5-methyl-2-thienyl)methyl]-1-phenyl-ethanamine
  • N-[(5-methyl-2-thienyl)methyl]-1-phenylethanamine
  • (5-methyl-2-thienyl)methyl-(1-phenylethyl)amine
  • N-[(5-methylthiophen-2-yl)methyl]-1-phenyl-ethanamine
  • (5-Methyl-thiophen-2-ylmethyl)-(1-phenyl-ethyl)-amine
  • ASN 07017072
  • AN-465/41991224
  • N-[(5-methyl-2-thienyl)methyl]-N-(1-phenylethyl)amine
  • NCGC00103335-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi MH2 domain containing protein 0.0144 0.0837 0.0837
Entamoeba histolytica hypothetical protein, conserved 0.0271 0.163 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0271 0.163 0.163
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0271 0.163 0.163
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0271 0.163 0.163
Entamoeba histolytica hypothetical protein 0.0271 0.163 0.5
Loa Loa (eye worm) hhat protein 0.0271 0.163 0.163
Echinococcus granulosus sterol O acyltransferase 1 0.0271 0.163 0.163
Brugia malayi Hhat protein 0.0271 0.163 0.163
Brugia malayi MBOAT family protein 0.0271 0.163 0.163
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.1615 1 1
Brugia malayi MBOAT family protein 0.0271 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.0271 0.163 0.163
Loa Loa (eye worm) hhat protein 0.0271 0.163 0.163
Brugia malayi MBOAT family protein 0.0271 0.163 0.163
Trichomonas vaginalis conserved hypothetical protein 0.0271 0.163 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0271 0.163 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0271 0.163 0.163
Plasmodium falciparum diacylglycerol O-acyltransferase 0.1615 1 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0271 0.163 0.163
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0271 0.163 0.163
Loa Loa (eye worm) MBOAT family protein 0.0271 0.163 0.163
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0271 0.163 0.163
Leishmania major glycerol uptake protein, putative 0.0271 0.163 0.5
Trypanosoma cruzi GUP1, putative 0.0271 0.163 0.5
Trichomonas vaginalis porcupine, putative 0.0271 0.163 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.1615 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0837 0.0837
Loa Loa (eye worm) MBOAT family protein 0.0271 0.163 0.163
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.1615 1 1
Echinococcus granulosus o acyltransferase membrane bound domain 0.0271 0.163 0.163
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0271 0.163 0.163
Trypanosoma brucei glycerol uptake protein, putative 0.0271 0.163 0.5
Leishmania major glycerol uptake protein, putative 0.0271 0.163 0.5
Leishmania major hypothetical protein, conserved 0.0271 0.163 0.5
Leishmania major glycerol uptake protein, putative 0.0271 0.163 0.5
Loa Loa (eye worm) hypothetical protein 0.0271 0.163 0.163
Trypanosoma cruzi glycerol uptake protein, putative 0.0271 0.163 0.5
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0271 0.163 0.163
Loa Loa (eye worm) MBOAT family protein 0.0271 0.163 0.163
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0271 0.163 0.163
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0271 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.0271 0.163 0.163
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0271 0.163 0.163
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0271 0.163 0.163
Trypanosoma cruzi GUP1, putative 0.0271 0.163 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0271 0.163 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0271 0.163 0.163
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0271 0.163 0.163
Leishmania major glycerol uptake protein, putative 0.0271 0.163 0.5
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.1615 1 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0271 0.163 0.163
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1615 1 1
Schistosoma mansoni hypothetical protein 0.0271 0.163 0.163
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0271 0.163 0.163
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0271 0.163 0.5
Leishmania major glycerol uptake protein, putative 0.0271 0.163 0.5
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0271 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.1343 0.8309 0.8309
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.1615 1 1
Trypanosoma brucei glycerol uptake protein, putative 0.0271 0.163 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0271 0.163 0.5
Trichomonas vaginalis transmembrane protein nessy, putative 0.0271 0.163 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0271 0.163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0271 0.163 0.5
Treponema pallidum alginate O-acetylation protein (algI) 0.0271 0.163 0.5
Schistosoma mansoni zinc finger protein 0.0271 0.163 0.163
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0837 0.0837
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0271 0.163 0.163
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1615 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0271 0.163 0.163
Onchocerca volvulus 0.0271 0.163 0.5
Brugia malayi MBOAT family protein 0.0271 0.163 0.163
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0271 0.163 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0271 0.163 0.5
Brugia malayi MBOAT family protein 0.0271 0.163 0.163
Loa Loa (eye worm) hypothetical protein 0.0271 0.163 0.163
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0271 0.163 0.163

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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