Detailed information for compound 1446643

Basic information

Technical information
  • TDR Targets ID: 1446643
  • Name: 2-(4-chlorophenyl)sulfonyl-5-furan-2-yl-N-[(2 -methoxyphenyl)methyl]-1,2,4-triazol-3-amine
  • MW: 444.891 | Formula: C20H17ClN4O4S
  • H donors: 1 H acceptors: 4 LogP: 4.96 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNc1nc(nn1S(=O)(=O)c1ccc(cc1)Cl)c1ccco1
  • InChi: 1S/C20H17ClN4O4S/c1-28-17-6-3-2-5-14(17)13-22-20-23-19(18-7-4-12-29-18)24-25(20)30(26,27)16-10-8-15(21)9-11-16/h2-12H,13H2,1H3,(H,22,23,24)
  • InChiKey: ICUJXZOQRWOWQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenyl)sulfonyl-5-(2-furyl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-amine
  • [2-(4-chlorophenyl)sulfonyl-5-(2-furyl)-1,2,4-triazol-3-yl]-(2-methoxybenzyl)amine
  • D331-0338
  • NCGC00118571-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau 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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.1421 1 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1348 0.9457 0.9457
Entamoeba histolytica cdc48-like protein, putative 0.1348 0.9457 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1421 1 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0851 0.5767 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.1348 0.9457 1
Trypanosoma cruzi Valosin-containing protein, putative 0.1348 0.9457 1
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0851 0.5767 0.5767
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0588 0.3817 0.3817
Toxoplasma gondii cell division protein CDC48CY 0.1421 1 1
Trypanosoma brucei Valosin-containing protein 0.1348 0.9457 1
Brugia malayi valosin containing protein 0.0833 0.564 1
Brugia malayi vesicle-fusing ATPase 0.0833 0.564 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.1421 1 1
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0336 0.195 0.195
Loa Loa (eye worm) hypothetical protein 0.0833 0.564 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.1421 1 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.5639 0.5639
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.5639 0.5639
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0588 0.3817 0.3817
Echinococcus granulosus microtubule associated protein 2 0.0833 0.5639 0.5639
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0336 0.195 0.195
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.1348 0.9457 1
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0588 0.3817 0.6768
Mycobacterium ulcerans ATPase 0.0851 0.5767 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1579 0.1579
Giardia lamblia AAA family ATPase 0.0851 0.5767 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.1348 0.9457 1
Loa Loa (eye worm) vesicle-fusing ATPase 0.0833 0.564 1
Loa Loa (eye worm) VCP protein 0.0588 0.3817 0.6768
Toxoplasma gondii cell division protein CDC48AP 0.0851 0.5767 0.5767
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1322 0.2343
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.1348 0.9457 1
Brugia malayi Pre-SET motif family protein 0.0251 0.1322 0.2343

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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

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.

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