Detailed information for compound 1333563

Basic information

Technical information
  • TDR Targets ID: 1333563
  • Name: N-(4-methoxyphenyl)-2-(phenylsulfonylamino)py rimidine-5-carboxamide
  • MW: 384.409 | Formula: C18H16N4O4S
  • H donors: 2 H acceptors: 5 LogP: 1.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)c1cnc(nc1)NS(=O)(=O)c1ccccc1
  • InChi: 1S/C18H16N4O4S/c1-26-15-9-7-14(8-10-15)21-17(23)13-11-19-18(20-12-13)22-27(24,25)16-5-3-2-4-6-16/h2-12H,1H3,(H,21,23)(H,19,20,22)
  • InChiKey: MKGPUDBRUZYQGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxyphenyl)-2-(phenylsulfonylamino)-5-pyrimidinecarboxamide
  • ASN 10220413
  • ZINC04913948
  • 2-Benzenesulfonylamino-pyrimidine-5-carboxylic acid (4-methoxy-phenyl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax SET domain protein, putative 0.0036 0.0008 0.5
Echinococcus multilocularis hormone sensitive lipase 0.1608 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1377 0.1369
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1597 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.1377 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1608 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1608 1 1
Onchocerca volvulus 0.0286 0.1597 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.1608 1 1
Loa Loa (eye worm) hypothetical protein 0.1608 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0008 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0008 0.0008

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 19.9526 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 for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 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

Species name Source Reference Is orphan
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.