Detailed information for compound 40705

Basic information

Technical information
  • TDR Targets ID: 40705
  • Name: ethyl 4-(thiophen-2-ylmethylamino)benzoate
  • MW: 261.339 | Formula: C14H15NO2S
  • H donors: 1 H acceptors: 1 LogP: 3.34 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)NCc1cccs1
  • InChi: 1S/C14H15NO2S/c1-2-17-14(16)11-5-7-12(8-6-11)15-10-13-4-3-9-18-13/h3-9,15H,2,10H2,1H3
  • InChiKey: WZMJZHDDJVTZRL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-(2-thienylmethylamino)benzoate
  • 4-(2-thienylmethylamino)benzoic acid ethyl ester
  • 4-(2-thenylamino)benzoic acid ethyl ester
  • Benzoic acid, 4-(2-thienylmethylamino)-, ethyl ester
  • Ethyl 4-[(2-thienylmethyl)amino]benzoate

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 multilocularis baculoviral IAP repeat containing protein 0.0062 0.1084 0.1084
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0327 1 1
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0062 0.1084 0.1084
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0327 1 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0327 1 0.5
Plasmodium falciparum eukaryotic initiation factor 4A 0.0327 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0033 0.0108 0.0108
Leishmania major eukaryotic initiation factor 4a, putative 0.0327 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0327 1 1
Plasmodium vivax RNA helicase-1, putative 0.0327 1 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0327 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0327 1 0.5
Schistosoma mansoni hypothetical protein 0.0062 0.1084 0.1084
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0327 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0327 1 0.5
Echinococcus granulosus eukaryotic initiation factor 4A 0.0327 1 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0327 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0327 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0327 1 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0327 1 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0033 0.0108 0.0108
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0327 1 1
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0062 0.1084 0.1084
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0327 1 1
Echinococcus multilocularis nmda type glutamate receptor 0.0033 0.0108 0.0108
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0327 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0327 1 0.5
Echinococcus multilocularis inhibitor of apoptosis protein 0.0062 0.1084 0.1084
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0327 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0327 1 1
Echinococcus granulosus inhibitor of apoptosis protein 0.0062 0.1084 0.1084
Schistosoma mansoni inhibitor of apoptosis protein 0.0062 0.1084 0.1084
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0327 1 1

Activities

Activity type Activity value Assay description Source Reference
Diet (functional) ND 0 % In vivo Sterol lowering activity at dose as 0.10 % of the diet;ND means no data. ChEMBL. 6604816
Diet (functional) ND 0 % In vivo Triglyceride lowering activity at dose as 0.10 % of the diet;ND means no data. ChEMBL. 6604816
Diet (functional) = 78 % In vivo Triglyceride lowering activity at dose as 0.03 % of the diet. ChEMBL. 6604816
Diet (functional) = 94 % In vivo triglyceride lowering activity, dosed at 0.01 % of the diet. ChEMBL. 6604816
Diet (functional) = 98 % In vivo Sterol lowering activity at dose as 0.03 % of the diet. ChEMBL. 6604816
Diet (functional) = 104 % In vivo Sterol lowering activity at dose as 0.01 % of the diet. ChEMBL. 6604816
Inhibition (binding) = 44 % In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase (ACAT) ChEMBL. 6604816
Inhibition (binding) = 44 % In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase (ACAT) ChEMBL. 6604816

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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