Detailed information for compound 1530336

Basic information

Technical information
  • TDR Targets ID: 1530336
  • Name: 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-[(4,6 -dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acet amide
  • MW: 464.537 | Formula: C24H24N4O4S
  • H donors: 2 H acceptors: 5 LogP: 3.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1coc2c1c(C)cc(c2)C)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C
  • InChi: 1S/C24H24N4O4S/c1-14-9-15(2)23-18(13-32-21(23)10-14)12-22(29)27-19-5-7-20(8-6-19)33(30,31)28-24-25-16(3)11-17(4)26-24/h5-11,13H,12H2,1-4H3,(H,27,29)(H,25,26,28)
  • InChiKey: PSKKBVUXFHCYPF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4,6-dimethylbenzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
  • 2-(4,6-dimethyl-3-benzofuranyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]acetamide
  • 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]ethanamide
  • NCGC00115173-01
  • D038-0640

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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 granulosus dihydropyrimidine dehydrogenase NADP 0.0664 0.3778 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0664 0.3778 0.3773
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.17 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0664 0.3778 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0153 0.0145
Schistosoma mansoni hypothetical protein 0.0041 0.0039 0.0031
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0664 0.3778 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0153 0.1122
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1301 1
Leishmania major dihydroorotate dehydrogenase 0.17 1 0.5
Onchocerca volvulus 0.0286 0.151 1
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.17 1 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.17 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0664 0.3778 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0039 0.0237
Plasmodium falciparum dihydroorotate dehydrogenase 0.17 1 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.1301 0.1294
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0664 0.3778 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0664 0.3778 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.17 1 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0664 0.3778 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0664 0.3778 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.17 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0664 0.3778 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0039 0.0031
Schistosoma mansoni dihydroorotate dehydrogenase 0.17 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0664 0.3778 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.17 1 1
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.17 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0008 0.0021
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.17 1 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.17 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0664 0.3778 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0153 0.0145
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0153 0.1122
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.17 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.17 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) 28.1838 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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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