Detailed information for compound 1391310

Basic information

Technical information
  • TDR Targets ID: 1391310
  • Name: N-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methoxyp henyl)furan-2-carboxamide
  • MW: 417.432 | Formula: C20H19NO7S
  • H donors: 0 H acceptors: 3 LogP: 3.38 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1cc(OC)ccc1OC)C(=O)c1ccco1
  • InChi: 1S/C20H19NO7S/c1-25-15-8-6-14(7-9-15)21(20(22)18-5-4-12-28-18)29(23,24)19-13-16(26-2)10-11-17(19)27-3/h4-13H,1-3H3
  • InChiKey: WFQYUIXVMYJKDZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-2-furancarboxamide
  • N-(2,5-dimethoxyphenyl)sulfonyl-N-(4-methoxyphenyl)-2-furamide
  • MLS000863099
  • ZINC01050123
  • MLS000050913
  • N-[(2,5-dimethoxyphenyl)sulfonyl]-N-(4-methoxyphenyl)-2-furamide
  • SMR000078622

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0015 0.0038
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1281 1
Trichomonas vaginalis peptide N-glycanase, putative 0.0826 0.3851 1
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0015 0.0038
Brugia malayi N-terminal motif family protein 0.0218 0.0991 0.2572
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0826 0.3851 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0015 0.0038
Brugia malayi hypothetical protein 0.0011 0.0015 0.0038
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.0991 0.0991
Loa Loa (eye worm) hypothetical protein 0.0218 0.0991 0.7732
Schistosoma mansoni dishevelled 0.0011 0.0015 0.0038
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0309 0.5
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0015 0.0038
Brugia malayi hypothetical protein 0.0011 0.0015 0.0038
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Mycobacterium ulcerans putative transglutaminase-like protein 0.0826 0.3851 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0826 0.3851 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0015 0.0038
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0015 0.0038
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0015 0.0038
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0826 0.3851 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0309 0.0803
Giardia lamblia Hypothetical protein 0.0826 0.3851 0.5
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0015 0.0113
Trypanosoma cruzi hypothetical protein 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0113
Schistosoma mansoni dishevelled 0.0011 0.0015 0.0038
Entamoeba histolytica hypothetical protein 0.0008 0 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0015 0.0038
Trypanosoma cruzi hypothetical protein 0.0008 0 0.5
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0015 0.0015
Mycobacterium ulcerans hypothetical protein 0.0826 0.3851 1
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0015 0.0038
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Onchocerca volvulus 0.0011 0.0015 0.0015
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0015 0.0113
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0015 0.0038
Giardia lamblia Transglutaminase/protease, putative 0.0826 0.3851 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0309 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0113
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Echinococcus multilocularis Transglutaminase 0.0826 0.3851 1
Schistosoma mansoni hypothetical protein 0.0826 0.3851 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0015 0.0038
Mycobacterium leprae Conserved hypothetical protein 0.0826 0.3851 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0015 0.0038
Mycobacterium tuberculosis Conserved protein 0.0826 0.3851 1
Mycobacterium ulcerans transglutaminase family protein 0.0826 0.3851 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0309 0.0803
Mycobacterium tuberculosis Long conserved protein 0.0826 0.3851 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0309 0.0803
Mycobacterium ulcerans hypothetical protein 0.0826 0.3851 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0826 0.3851 1
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0015 0.0038
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0015 0.0038
Loa Loa (eye worm) hypothetical protein 0.0011 0.0015 0.0113
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Brugia malayi DIX domain containing protein 0.0011 0.0015 0.0038
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0015 0.0038
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0015 0.0038
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.028 0.1281 0.3326
Schistosoma mansoni dep domain containing protein 0.0011 0.0015 0.0038
Echinococcus granulosus Transglutaminase 0.0826 0.3851 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0309 0.0803
Brugia malayi Thioredoxin family protein 0.0826 0.3851 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 8.9125 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
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.

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