Detailed information for compound 1331666

Basic information

Technical information
  • TDR Targets ID: 1331666
  • Name: 5-furan-2-yl-2-(4-methoxyphenyl)sulfonyl-N-[( 4-propan-2-ylphenyl)methyl]-1,2,4-triazol-3-a mine
  • MW: 452.526 | Formula: C23H24N4O4S
  • H donors: 1 H acceptors: 4 LogP: 5.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)n1nc(nc1NCc1ccc(cc1)C(C)C)c1ccco1
  • InChi: 1S/C23H24N4O4S/c1-16(2)18-8-6-17(7-9-18)15-24-23-25-22(21-5-4-14-31-21)26-27(23)32(28,29)20-12-10-19(30-3)11-13-20/h4-14,16H,15H2,1-3H3,(H,24,25,26)
  • InChiKey: OEPIQBCBDWTGIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(2-furyl)-N-[(4-isopropylphenyl)methyl]-2-(4-methoxyphenyl)sulfonyl-1,2,4-triazol-3-amine
  • [5-(2-furyl)-2-(4-methoxyphenyl)sulfonyl-1,2,4-triazol-3-yl]-(4-isopropylbenzyl)amine
  • D331-0512
  • NCGC00118603-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis musashi 0.0033 0.0135 0.0116
Brugia malayi Isocitrate dehydrogenase 0.0099 0.0733 0.0733
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.036 0.3058 0.377
Echinococcus granulosus GPCR family 2 0.036 0.3058 0.377
Brugia malayi Calcitonin receptor-like protein seb-1 0.1137 1 1
Loa Loa (eye worm) hypothetical protein 0.0777 0.6787 0.6787
Schistosoma mansoni tar DNA-binding protein 0.0917 0.804 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0099 0.0733 0.0733
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0135 0.0135
Brugia malayi RNA binding protein 0.0917 0.804 0.804
Brugia malayi isocitrate dehydrogenase 0.0099 0.0733 0.0733
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0733 0.0863
Loa Loa (eye worm) RNA binding protein 0.0917 0.804 0.804
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0733 1
Onchocerca volvulus 0.0469 0.4036 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.036 0.3058 0.3058
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0099 0.0733 1
Echinococcus multilocularis GPCR, family 2 0.036 0.3058 0.377
Loa Loa (eye worm) hypothetical protein 0.0469 0.4036 0.4036
Echinococcus multilocularis tar DNA binding protein 0.0917 0.804 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0099 0.0733 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0733 0.0863
Schistosoma mansoni intermediate filament proteins 0.0033 0.0135 0.0116
Schistosoma mansoni tar DNA-binding protein 0.0917 0.804 1
Echinococcus granulosus lamin 0.0033 0.0135 0.0116
Loa Loa (eye worm) hypothetical protein 0.0032 0.013 0.013
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.1952 0.1952
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0733 1
Brugia malayi hypothetical protein 0.0469 0.4036 0.4036
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1137 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0733 1
Brugia malayi RNA recognition motif domain containing protein 0.0917 0.804 0.804
Echinococcus multilocularis lamin dm0 0.0033 0.0135 0.0116
Loa Loa (eye worm) hypothetical protein 0.0033 0.0135 0.0135
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0099 0.0733 0.0863
Toxoplasma gondii isocitrate dehydrogenase 0.0099 0.0733 1
Loa Loa (eye worm) TAR-binding protein 0.0917 0.804 0.804
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0135 0.0135
Schistosoma mansoni lamin 0.0033 0.0135 0.0116
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0099 0.0733 0.0863
Echinococcus granulosus tar DNA binding protein 0.0917 0.804 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.036 0.3058 0.377
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.036 0.3058 0.377
Schistosoma mansoni hypothetical protein 0.036 0.3058 0.377
Echinococcus multilocularis lamin 0.0033 0.0135 0.0116
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0099 0.0733 1
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.1952 0.1952
Loa Loa (eye worm) hypothetical protein 0.0049 0.0286 0.0286
Schistosoma mansoni tar DNA-binding protein 0.0917 0.804 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.036 0.3058 0.3058
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.036 0.3058 0.377
Echinococcus granulosus intermediate filament protein 0.0033 0.0135 0.0116
Schistosoma mansoni tar DNA-binding protein 0.0917 0.804 1
Loa Loa (eye worm) hypothetical protein 0.1137 1 1
Schistosoma mansoni hypothetical protein 0.036 0.3058 0.377
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0099 0.0733 0.0863
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0099 0.0733 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0099 0.0733 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0099 0.0733 0.0863
Brugia malayi latrophilin 2 splice variant baaae 0.0777 0.6787 0.6787
Schistosoma mansoni tar DNA-binding protein 0.0917 0.804 1
Brugia malayi MH2 domain containing protein 0.0236 0.1952 0.1952
Brugia malayi Latrophilin receptor protein 2 0.036 0.3058 0.3058
Schistosoma mansoni lamin 0.0033 0.0135 0.0116
Loa Loa (eye worm) latrophilin receptor protein 2 0.036 0.3058 0.3058
Schistosoma mansoni hypothetical protein 0.036 0.3058 0.377
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0099 0.0733 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0917 0.804 0.804
Schistosoma mansoni hypothetical protein 0.0777 0.6787 0.8433
Schistosoma mansoni hypothetical protein 0.036 0.3058 0.377
Brugia malayi TAR-binding protein 0.0917 0.804 0.804
Brugia malayi hypothetical protein 0.0032 0.013 0.013
Brugia malayi hypothetical protein 0.0049 0.0286 0.0286
Echinococcus multilocularis isocitrate dehydrogenase 0.0099 0.0733 0.0863
Echinococcus granulosus lamin dm0 0.0033 0.0135 0.0116
Brugia malayi intermediate filament protein 0.0033 0.0135 0.0135

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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