Detailed information for compound 1398744

Basic information

Technical information
  • TDR Targets ID: 1398744
  • Name: ethyl 5-[(2,5-dimethoxyphenyl)sulfamoyl]-1H-p yrazole-3-carboxylate
  • MW: 355.366 | Formula: C14H17N3O6S
  • H donors: 2 H acceptors: 4 LogP: 1.57 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1[nH]nc(c1)S(=O)(=O)Nc1cc(OC)ccc1OC
  • InChi: 1S/C14H17N3O6S/c1-4-23-14(18)11-8-13(16-15-11)24(19,20)17-10-7-9(21-2)5-6-12(10)22-3/h5-8,17H,4H2,1-3H3,(H,15,16)
  • InChiKey: QNVZWXSLZOOONL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(2,5-dimethoxyphenyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid ethyl ester
  • G695-0020
  • NCGC00133226-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase 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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus 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
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245

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
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0181 0.3913 0.3913
Echinococcus granulosus ecdysone induced protein 78C 0.0181 0.3913 1
Schistosoma mansoni thyroid hormone receptor 0.0181 0.3913 0.3913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0181 0.3913 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0181 0.3913 0.3913
Schistosoma mansoni nuclear hormone receptor 0.0181 0.3913 0.3913
Brugia malayi hypothetical protein 0.0096 0.0419 0.0419
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0096 0.0419 0.1071
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0096 0.0419 0.0419
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0181 0.3913 0.3913
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.0419 0.0419
Brugia malayi steroid hormone receptor 0.0181 0.3913 0.3913
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0181 0.3913 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.0419
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0181 0.3913 0.3913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0181 0.3913 0.3913
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0181 0.3913 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0096 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.0419
Loa Loa (eye worm) steroid hormone receptor 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.0419
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0181 0.3913 0.3913
Onchocerca volvulus 0.0286 0.8199 1
Brugia malayi Nuclear hormone receptor-like 1 0.0181 0.3913 0.3913
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0181 0.3913 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0181 0.3913 0.3913
Schistosoma mansoni thyroid hormone receptor 0.0181 0.3913 0.3913
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0181 0.3913 1
Brugia malayi Pre-SET motif family protein 0.0251 0.678 0.678
Onchocerca volvulus 0.0181 0.3913 0.4772
Onchocerca volvulus Bile acid receptor homolog 0.0181 0.3913 0.4772
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0181 0.3913 0.3913
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0181 0.3913 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0181 0.3913 0.4772
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0181 0.3913 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0181 0.3913 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0181 0.3913 0.3913
Echinococcus multilocularis thyroid hormone receptor alpha 0.0181 0.3913 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0181 0.3913 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0181 0.3913 0.3913
Brugia malayi hypothetical protein 0.0096 0.0419 0.0419
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Echinococcus granulosus FTZ F1 alpha 0.0181 0.3913 1
Brugia malayi nuclear hormone receptor 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0096 0.0419 0.0419
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0181 0.3913 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0181 0.3913 0.3913
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0096 0.0419 0.1071
Schistosoma mansoni retinoic acid receptor RXR 0.0181 0.3913 0.3913
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0181 0.3913 0.3913
Brugia malayi nuclear receptor NHR-88 0.0181 0.3913 0.3913
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0181 0.3913 0.3913
Schistosoma mansoni RAR-like nuclear receptor 0.0181 0.3913 0.3913
Brugia malayi photoreceptor-specific nuclear receptor 0.0181 0.3913 0.3913
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0181 0.3913 0.3913
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0181 0.3913 0.3913
Echinococcus multilocularis FTZ F1 alpha 0.0181 0.3913 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0181 0.3913 0.3913
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0181 0.3913 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0181 0.3913 0.3913
Onchocerca volvulus Protein ultraspiracle homolog 0.0181 0.3913 0.4772
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0181 0.3913 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0096 0.0419 0.0419
Schistosoma mansoni coup transcription factor 0.0181 0.3913 0.3913
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0181 0.3913 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0181 0.3913 0.3913
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0181 0.3913 0.3913
Brugia malayi nuclear receptor RXR 0.0096 0.0419 0.0419
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0181 0.3913 0.3913
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0181 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0181 0.3913 0.3913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0181 0.3913 0.3913
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0181 0.3913 0.3913
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0181 0.3913 0.3913
Brugia malayi Steroid receptor seven-up type 2 0.0181 0.3913 0.3913
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.678 0.678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0181 0.3913 0.3913
Brugia malayi ecdysteroid receptor 0.0181 0.3913 0.3913
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0181 0.3913 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 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) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

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