Detailed information for compound 1705378

Basic information

Technical information
  • TDR Targets ID: 1705378
  • Name: N-(2,3-dimethylphenyl)-2-[1-[(4-fluorophenyl) methyl]imidazol-2-yl]sulfanylacetamide
  • MW: 369.456 | Formula: C20H20FN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1C)C)CSc1nccn1Cc1ccc(cc1)F
  • InChi: 1S/C20H20FN3OS/c1-14-4-3-5-18(15(14)2)23-19(25)13-26-20-22-10-11-24(20)12-16-6-8-17(21)9-7-16/h3-11H,12-13H2,1-2H3,(H,23,25)
  • InChiKey: IWCMIESROFOMMI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-acetamide
  • N-(2,3-dimethylphenyl)-2-[[1-[(4-fluorophenyl)methyl]-2-imidazolyl]thio]acetamide
  • N-(2,3-dimethylphenyl)-2-[[1-(4-fluorobenzyl)imidazol-2-yl]thio]acetamide
  • N-(2,3-dimethylphenyl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-ethanamide
  • ZINC04248740
  • G856-2100
  • NCGC00135875-01

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
Loa Loa (eye worm) hypothetical protein 0.0185 0.1938 1
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0181 0.189 0.9754
Echinococcus multilocularis CREB binding protein 0.0068 0.0595 0.3069
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0504 0.2477
Loa Loa (eye worm) hypothetical protein 0.0047 0.0348 0.1661
Echinococcus multilocularis GPCR, family 2 0.0019 0.0032 0.0163
Schistosoma mansoni hypothetical protein 0.0041 0.0285 0.133
Onchocerca volvulus 0.0048 0.0366 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0285 0.133
Leishmania major N-myristoyl transferase, putative 0.0181 0.189 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0156 0.1601 0.81
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0181 0.189 0.9754
Echinococcus granulosus CREB binding protein 0.0099 0.0953 0.4917
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0032 0.0163
Echinococcus granulosus CREB binding protein 0.0061 0.0516 0.2663
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0048 0.0366 0.1755
Giardia lamblia CDC72 0.0181 0.189 0.5
Mycobacterium ulcerans naphthoate synthase 0.0888 1 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0156 0.1601 0.826
Onchocerca volvulus 0.0048 0.0366 0.5
Brugia malayi TAZ zinc finger family protein 0.0099 0.0953 0.4833
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0156 0.1601 0.81
Trichomonas vaginalis N-myristoyl transferase, putative 0.0181 0.189 1
Echinococcus multilocularis choline O acetyltransferase 0.0185 0.1938 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0099 0.0953 0.4833
Schistosoma mansoni CREB-binding protein 2 0.0099 0.0953 0.4833
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0048 0.0366 0.189
Onchocerca volvulus 0.0048 0.0366 0.5
Brugia malayi Choline O-acetyltransferase 0.0185 0.1938 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0181 0.189 1
Loa Loa (eye worm) CBP-B 0.0069 0.0605 0.3006
Loa Loa (eye worm) hypothetical protein 0.0156 0.1601 0.8231
Schistosoma mansoni choline o-acyltransferase 0.0048 0.0366 0.1755
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.0888 1 0.5
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0181 0.189 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0285 0.133
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0504 0.2477
Brugia malayi N-myristoyltransferase 2 0.0181 0.189 0.975
Onchocerca volvulus 0.0048 0.0366 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0504 0.2477
Schistosoma mansoni choline o-acyltransferase 0.0185 0.1938 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0032 0.0163
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0156 0.1601 0.826
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0048 0.0366 0.189
Loa Loa (eye worm) hypothetical protein 0.006 0.0504 0.2477
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0048 0.0366 0.1755
Echinococcus granulosus GPCR family 2 0.0019 0.0032 0.0163
Trypanosoma cruzi N-myristoyl transferase, putative 0.0181 0.189 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0156 0.1601 0.8231
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0366 0.1755
Loa Loa (eye worm) N-myristoyltransferase 2 0.0181 0.189 0.975
Trypanosoma brucei N-myristoyl transferase, putative 0.0181 0.189 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0156 0.1601 0.81
Loa Loa (eye worm) choline O-acetyltransferase 0.0185 0.1938 1
Trypanosoma brucei N-myristoyltransferase 0.0181 0.189 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0032 0.0163
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0181 0.189 0.5
Brugia malayi Choline O-acetyltransferase 0.0185 0.1938 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0048 0.0366 0.1755
Echinococcus granulosus choline O acetyltransferase 0.0185 0.1938 1
Schistosoma mansoni N-myristoyltransferase 0.0181 0.189 0.975
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0181 0.189 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0032 0.0163

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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