Detailed information for compound 1426274

Basic information

Technical information
  • TDR Targets ID: 1426274
  • Name: N-(furan-2-ylmethyl)-2-[[4-(2-methoxyethyl)-5 -propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acet amide
  • MW: 338.425 | Formula: C15H22N4O3S
  • H donors: 1 H acceptors: 3 LogP: 1.16 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
  • InChi: 1S/C15H22N4O3S/c1-11(2)14-17-18-15(19(14)6-8-21-3)23-10-13(20)16-9-12-5-4-7-22-12/h4-5,7,11H,6,8-10H2,1-3H3,(H,16,20)
  • InChiKey: SJJOMEUYAQPDMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(2-furylmethyl)-2-[[5-isopropyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(furan-2-ylmethyl)-2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • ASN 05659723
  • ZINC04879412
  • N-Furan-2-ylmethyl-2-[5-isopropyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
  • SMR000118835
  • MLS000121413

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.0757 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0366 0.428 0.5529
Brugia malayi hypothetical protein 0.0051 0.0415 0.0536
Schistosoma mansoni tar DNA-binding protein 0.0649 0.7741 0.7741
Leishmania major hypothetical protein, conserved 0.0079 0.0757 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0757 0.0978
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0757 0.5
Schistosoma mansoni hypothetical protein 0.0116 0.1211 0.1211
Echinococcus granulosus tar DNA binding protein 0.0649 0.7741 0.7741
Brugia malayi latrophilin 2 splice variant baaae 0.0251 0.286 0.3694
Echinococcus granulosus GPCR family 2 0.0116 0.1211 0.1211
Loa Loa (eye worm) hypothetical protein 0.0251 0.286 0.3694
Schistosoma mansoni tar DNA-binding protein 0.0649 0.7741 0.7741
Brugia malayi Calcitonin receptor-like protein seb-1 0.0366 0.428 0.5529
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Brugia malayi TAR-binding protein 0.0649 0.7741 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0649 0.7741 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.0757 0.5
Schistosoma mansoni hypothetical protein 0.0116 0.1211 0.1211
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0116 0.1211 0.1211
Loa Loa (eye worm) TAR-binding protein 0.0649 0.7741 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0116 0.1211 0.1211
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.0757 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0116 0.1211 0.1564
Brugia malayi RNA binding protein 0.0649 0.7741 1
Echinococcus multilocularis tar DNA binding protein 0.0649 0.7741 0.7741
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0366 0.428 0.5529
Brugia malayi hypothetical protein 0.0079 0.0757 0.0978
Loa Loa (eye worm) transcription factor SMAD2 0.0251 0.2866 0.3703
Schistosoma mansoni hypothetical protein 0.0251 0.286 0.286
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.0757 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0224 0.0224
Brugia malayi MH2 domain containing protein 0.0251 0.2866 0.3703
Loa Loa (eye worm) hypothetical protein 0.0116 0.1211 0.1564
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0224 0.0224
Brugia malayi RNA recognition motif domain containing protein 0.0649 0.7741 1
Loa Loa (eye worm) hypothetical protein 0.0366 0.428 0.5529
Loa Loa (eye worm) latrophilin receptor protein 2 0.0116 0.1211 0.1564
Schistosoma mansoni tar DNA-binding protein 0.0649 0.7741 0.7741
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni tar DNA-binding protein 0.0649 0.7741 0.7741
Echinococcus multilocularis GPCR, family 2 0.0116 0.1211 0.1211
Schistosoma mansoni hypothetical protein 0.0116 0.1211 0.1211
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 0.2866 0.3703
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0224 0.0224
Brugia malayi Latrophilin receptor protein 2 0.0116 0.1211 0.1564
Schistosoma mansoni hypothetical protein 0.0116 0.1211 0.1211
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0116 0.1211 0.1211
Loa Loa (eye worm) RNA binding protein 0.0649 0.7741 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0757 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0116 0.1211 0.1211
Schistosoma mansoni tar DNA-binding protein 0.0649 0.7741 0.7741
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.0757 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 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

Species name Source Reference Is orphan
Homo sapiens 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.