Detailed information for compound 1346482

Basic information

Technical information
  • TDR Targets ID: 1346482
  • Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-tr imethylphenyl)acetamide
  • MW: 289.396 | Formula: C15H19N3OS
  • H donors: 1 H acceptors: 2 LogP: 2.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1C)C)CSc1nccn1C
  • InChi: 1S/C15H19N3OS/c1-10-7-11(2)14(12(3)8-10)17-13(19)9-20-15-16-5-6-18(15)4/h5-8H,9H2,1-4H3,(H,17,19)
  • InChiKey: JDMFRLWZLSJWGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(1-methyl-2-imidazolyl)thio]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-[(1-methylimidazol-2-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-(1-methylimidazol-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide
  • ZINC00097425
  • ST038007
  • MLS000680596
  • N-mesityl-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide
  • SMR000268772
  • Oprea1_191995

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis adenosine kinase 0.1214 1 1
Loa Loa (eye worm) hypothetical protein 0.1214 1 1
Trypanosoma cruzi adenosine kinase, putative 0.1214 1 1
Trichomonas vaginalis ribokinase, putative 0.0138 0 0.5
Trypanosoma brucei adenosine kinase, putative 0.1214 1 1
Mycobacterium ulcerans carbohydrate kinase CbhK 0.0138 0 0.5
Trichomonas vaginalis ribokinase, putative 0.0138 0 0.5
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0138 0 0.5
Toxoplasma gondii kinase, pfkB family protein 0.1214 1 1
Entamoeba histolytica tagatose-6-phosphate kinase, putative 0.0138 0 0.5
Schistosoma mansoni adenosine kinase 0.1214 1 1
Trypanosoma cruzi adenosine kinase, putative 0.1214 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0138 0 0.5
Onchocerca volvulus 0.1076 0.8714 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1368 0.1368
Brugia malayi hypothetical protein 0.0286 0.1368 0.1368
Mycobacterium leprae Probable adenosine kinase adk 0.0138 0 0.5
Entamoeba histolytica kinase, PfkB family 0.0138 0 0.5
Entamoeba histolytica fructokinase, putative 0.0138 0 0.5
Mycobacterium ulcerans fructokinase, PfkB 0.0138 0 0.5
Trichomonas vaginalis ribokinase, putative 0.0138 0 0.5
Giardia lamblia Ribokinase 0.0138 0 0.5
Echinococcus granulosus adenosine kinase 0.1214 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.1368 0.1368
Mycobacterium tuberculosis Ribokinase RbsK 0.0138 0 0.5
Trypanosoma brucei adenosine kinase, putative 0.1214 1 1
Leishmania major adenosine kinase, putative 0.1214 1 1
Mycobacterium tuberculosis Adenosine kinase 0.0138 0 0.5
Entamoeba histolytica ribokinase, putative 0.0138 0 0.5
Entamoeba histolytica Hypothetical protein T24C12.3, putative 0.0138 0 0.5
Schistosoma mansoni adenosine kinase 0.1214 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1368 0.1368

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0447 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0738 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 6.5131 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
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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