Detailed information for compound 1272900

Basic information

Technical information
  • TDR Targets ID: 1272900
  • Name: 2-(methyl-(thiophen-2-ylmethyl)amino)-N-(2,3, 4-trifluorophenyl)propanamide
  • MW: 328.353 | Formula: C15H15F3N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(C(=O)Nc1ccc(c(c1F)F)F)C)Cc1cccs1
  • InChi: 1S/C15H15F3N2OS/c1-9(20(2)8-10-4-3-7-22-10)15(21)19-12-6-5-11(16)13(17)14(12)18/h3-7,9H,8H2,1-2H3,(H,19,21)
  • InChiKey: MDNCORLJMQCMFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(methyl-(2-thienylmethyl)amino)-N-(2,3,4-trifluorophenyl)propanamide
  • 2-(methyl-(2-thienylmethyl)amino)-N-(2,3,4-trifluorophenyl)propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0104 0.5267 0.5267
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0167 0.9146 0.9146
Toxoplasma gondii fructose-bisphospatase I 0.0062 0.2663 0.2906
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0167 0.9146 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0104 0.5267 0.5267
Schistosoma mansoni hypothetical protein 0.0181 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.0008 0.0008
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0008 0.5
Brugia malayi fructose-1,6-bisphosphatase 0.0167 0.9146 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.3121 1
Brugia malayi MH2 domain containing protein 0.0122 0.6334 0.6925
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0008 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.3121 0.3121
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2539 0.2776
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.3121 0.3121
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.5267 0.5267
Echinococcus multilocularis geminin 0.0181 1 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0167 0.9146 0.9146
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0008 0.0009
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0008 0.5
Leishmania major 0.0167 0.9146 1
Schistosoma mansoni hypothetical protein 0.0041 0.1364 0.1364
Loa Loa (eye worm) hypothetical protein 0.006 0.2539 0.2776
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0167 0.9146 1
Loa Loa (eye worm) hypothetical protein 0.007 0.3121 0.3412
Brugia malayi Melibiase family protein 0.007 0.3121 0.3412
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0104 0.5267 0.5267
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0167 0.9146 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0008 0.5
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0062 0.2663 0.2906
Toxoplasma gondii melibiase subfamily protein 0.0104 0.5267 0.5755
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0167 0.9146 0.9146
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0062 0.2663 0.2906
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0008 0.5
Toxoplasma gondii fructose-bisphospatase II 0.0167 0.9146 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.6334 0.6925
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0008 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.5267 0.5267
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0062 0.2663 0.2906
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0008 0.0008
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0167 0.9146 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0008 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1364 0.1491
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.6334 0.6925
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.1952 0.2135
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0062 0.2663 0.2906
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2539 0.2776
Schistosoma mansoni ap endonuclease 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0041 0.1364 0.1491
Schistosoma mansoni hypothetical protein 0.0181 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.5267 0.5267
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0104 0.5267 0.5267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2539 0.2776
Brugia malayi Cytochrome P450 family protein 0.0051 0.1952 0.2135
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0008 0.0008
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0008 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0008 0.0009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.3089 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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