Detailed information for compound 1444848

Basic information

Technical information
  • TDR Targets ID: 1444848
  • Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-met hylfuran-2-yl)tetrazol-2-yl]acetamide
  • MW: 355.348 | Formula: C17H17N5O4
  • H donors: 1 H acceptors: 4 LogP: 2.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1nnc(n1)c1ccc(o1)C)NCCc1ccc2c(c1)OCO2
  • InChi: 1S/C17H17N5O4/c1-11-2-4-14(26-11)17-19-21-22(20-17)9-16(23)18-7-6-12-3-5-13-15(8-12)25-10-24-13/h2-5,8H,6-7,9-10H2,1H3,(H,18,23)
  • InChiKey: YFFJHIZLAIPADV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methyl-2-furyl)tetrazol-2-yl]acetamide
  • N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methyl-2-furyl)-2-tetrazolyl]acetamide
  • N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(5-methylfuran-2-yl)-1,2,3,4-tetrazol-2-yl]ethanamide
  • SMR000013562
  • N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
  • ZINC00797026
  • MLS000031947
  • BAS 05990686

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 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_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352

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
Loa Loa (eye worm) hypothetical protein 0.018 0.1241 0.1258
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0955 0.9867 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0553 0.5387 0.546
Echinococcus multilocularis muscleblind protein 0.018 0.1241 0.1258
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0955 0.9867 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0955 0.9867 0.5
Echinococcus granulosus muscleblind protein 0.018 0.1241 0.1241
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0955 0.9867 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0955 0.9867 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.093 0.9594 0.9723
Onchocerca volvulus Protein ultraspiracle homolog 0.0069 0 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0955 0.9867 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0967 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0069 0 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0955 0.9867 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0955 0.9867 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0955 0.9867 0.9867
Echinococcus multilocularis muscleblind protein 1 0.018 0.1241 0.1258
Brugia malayi Muscleblind-like protein 0.018 0.1241 0.1258
Onchocerca volvulus Bile acid receptor homolog 0.0069 0 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.1241 0.1258
Echinococcus granulosus transcription factor Dp 1 0.0553 0.5387 0.5387
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0955 0.9867 0.9867
Onchocerca volvulus 0.0069 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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

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.