Detailed information for compound 1713758

Basic information

Technical information
  • TDR Targets ID: 1713758
  • Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[4-meth yl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulf anyl]acetamide
  • MW: 394.512 | Formula: C17H22N4O3S2
  • H donors: 0 H acceptors: 5 LogP: 1.4 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(C1CCS(=O)(=O)C1)C)CSc1nnc(n1C)c1ccccc1C
  • InChi: 1S/C17H22N4O3S2/c1-12-6-4-5-7-14(12)16-18-19-17(21(16)3)25-10-15(22)20(2)13-8-9-26(23,24)11-13/h4-7,13H,8-11H2,1-3H3
  • InChiKey: NAKTXZSQEQPGPL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(1,1-diketothiolan-3-yl)-N-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • T5266245

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
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 Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Schistosoma mansoni dep domain containing protein 0.0011 0.0164 1
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Toxoplasma gondii hypothetical protein 0.0011 0.0164 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0008 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.1083
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0164 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.1083
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0164 1
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0018 0.1083
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0164 1
Schistosoma mansoni dishevelled 0.0011 0.0164 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Trypanosoma cruzi hypothetical protein 0.0008 0.0018 0.5
Trypanosoma cruzi hypothetical protein 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146
Entamoeba histolytica hypothetical protein 0.0008 0.0018 0.5
Onchocerca volvulus 0.0011 0.0164 0.0146
Schistosoma mansoni dishevelled 0.0011 0.0164 1
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0018 0.1083
Onchocerca volvulus 0.0064 0.2679 0.2666
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi DIX domain containing protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0164 1
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 1
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0164 0.0146
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.1083
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0164 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0164 0.0146
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0164 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0.0018 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.