Detailed information for compound 1363338

Basic information

Technical information
  • TDR Targets ID: 1363338
  • Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]p henyl]furan-2-carboxamide
  • MW: 372.398 | Formula: C17H16N4O4S
  • H donors: 2 H acceptors: 5 LogP: 2.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(C)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccco1
  • InChi: 1S/C17H16N4O4S/c1-11-10-16(19-12(2)18-11)21-26(23,24)14-7-5-13(6-8-14)20-17(22)15-4-3-9-25-15/h3-10H,1-2H3,(H,20,22)(H,18,19,21)
  • InChiKey: VNRCJQACNSCQTJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-2-furancarboxamide
  • N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-furamide
  • CBMicro_045842
  • BIM-0045833.P001
  • ZINC00784971
  • STK061624
  • BAS 04914208
  • Furan-2-carboxylic acid [4-(2,6-dimethyl-pyrimidin-4-ylsulfamoyl)-phenyl]-amide
  • ZINC01299185
  • MLS000530570
  • N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-furamide
  • SMR000135550

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0099 0.0178
Trypanosoma cruzi acetyl-CoA carboxylase 0.0232 0.5594 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0143 0.2839 0.2839
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0143 0.2839 0.4057
Mycobacterium ulcerans pyruvate carboxylase 0.0143 0.2839 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0143 0.2839 0.2839
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0272 0.6803 0.5
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0362 0.9595 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0289 0.0199
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0375 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0289 0.0199
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0064 0.0405 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0143 0.2839 0.5074
Trypanosoma brucei acetyl-CoA carboxylase 0.0375 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0143 0.2839 1
Schistosoma mansoni pyruvate carboxylase 0.0143 0.2839 0.2839
Schistosoma mansoni DNA polymerase eta 0.0054 0.0099 0.0099
Leishmania major acetyl-CoA carboxylase, putative 0.0375 1 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0375 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0289 0.0199
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0143 0.2839 0.2839
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0143 0.2839 0.2839
Schistosoma mansoni acetyl-CoA carboxylase 0.0375 1 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0143 0.2839 0.2839
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0064 0.0405 0.5
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0143 0.2839 0.2839
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0143 0.2839 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0143 0.2839 0.5074
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0272 0.6803 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6997 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0143 0.2839 0.4057
Brugia malayi Carboxyl transferase domain containing protein 0.0362 0.9595 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.0099 0.0099
Leishmania major carboxylase, putative 0.0143 0.2839 0.2839
Echinococcus granulosus dna polymerase eta 0.0054 0.0099 0.0099
Leishmania major DNA polymerase eta, putative 0.0054 0.0099 0.0099
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0143 0.2839 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0143 0.2839 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0289 0.0199
Trypanosoma brucei unspecified product 0.0094 0.1329 0.1329
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0375 1 1
Chlamydia trachomatis biotin carboxylase 0.013 0.2433 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0143 0.2839 0.2839
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0099 0.0099
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0143 0.2839 1
Toxoplasma gondii pyruvate carboxylase 0.0143 0.2839 0.2839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 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) 100 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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