Detailed information for compound 1888579

Basic information

Technical information
  • TDR Targets ID: 1888579
  • Name: 2-(furan-2-ylmethyl-phenylsulfonylamino)-N-[( 3-hydroxyphenyl)methylideneamino]acetamide
  • MW: 413.447 | Formula: C20H19N3O5S
  • H donors: 2 H acceptors: 4 LogP: 2.29 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccccc1)Cc1ccco1)N/N=C/c1cccc(c1)O
  • InChi: 1S/C20H19N3O5S/c24-17-7-4-6-16(12-17)13-21-22-20(25)15-23(14-18-8-5-11-28-18)29(26,27)19-9-2-1-3-10-19/h1-13,24H,14-15H2,(H,22,25)/b21-13+
  • InChiKey: XXHKXIXLMLIODS-FYJGNVAPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-furylmethyl-phenylsulfonyl-amino)-N-[(3-hydroxyphenyl)methyleneamino]acetamide
  • 2-(2-furylmethyl-phenylsulfonylamino)-N-[(3-hydroxyphenyl)methyleneamino]acetamide
  • 2-(2-furylmethyl-phenylsulfonyl-amino)-N-[(3-hydroxybenzylidene)amino]acetamide
  • 2-(furan-2-ylmethyl-phenylsulfonyl-amino)-N-[(3-hydroxyphenyl)methylideneamino]ethanamide
  • N-(2-furylmethyl)-N-{2-[2-(3-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
  • SMR000162020
  • STK160816
  • MLS000539684

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.0009 0.0131 0.032
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4664 0.4554
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0131 0.032
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0142 0.0348
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0131 0.2554
Loa Loa (eye worm) Smad1 0.001 0.0142 0.0348
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0131 0.3501
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0131 0.032
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0131 0.032
Brugia malayi MH1 domain containing protein 0.0005 0.002 0.0032
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0142 0.2776
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0131 0.3501
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1294 0.1114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0131 0.2554
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0142 0.3806
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0131 0.032
Loa Loa (eye worm) hypothetical protein 0.0005 0.002 0.0032
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0131 0.2554
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0131 0.032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0131 0.032
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0492 1
Brugia malayi nuclear hormone receptor 0.0009 0.0131 0.032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0131 0.032
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0361 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4664 0.4554
Schistosoma mansoni smad1 5 8 and 0.001 0.0142 0.3806
Brugia malayi steroid hormone receptor 0.0009 0.0131 0.032
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0131 0.3501
Echinococcus multilocularis smad 0.001 0.0142 0.2776
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0142 0.2776
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0285 0.1896
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0126 0.2448
Onchocerca volvulus 0.0009 0.0131 0.5
Echinococcus granulosus smad 0.001 0.0142 0.2776
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0131 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0131 0.3501
Loa Loa (eye worm) RecQ helicase 0.0022 0.0492 0.1252
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0142 0.2776
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0131 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4664 0.4554
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5205 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0131 0.2554
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0131 0.2554
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0131 0.2554
Echinococcus multilocularis Smad4 0.001 0.0142 0.2776
Brugia malayi MH1 domain containing protein 0.001 0.0142 0.0348
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0131 0.2554
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0131 0.032
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0131 0.3501
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0131 0.032
Brugia malayi MH2 domain containing protein 0.0144 0.3874 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0142 0.3806
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0131 0.032
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0131 0.032
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0131 0.032
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0492 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0126 0.0307
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0131 0.2554
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0131 0.2554
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.029 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0131 0.032
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0142 0.2776
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Schistosoma mansoni smad 0.001 0.0142 0.3806
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0126 0.2448
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0131 0.3501
Toxoplasma gondii hypothetical protein 0.0059 0.1503 1
Brugia malayi MH2 domain containing protein 0.001 0.0142 0.0348
Schistosoma mansoni DNA helicase recq5 0.0009 0.0126 0.3357
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0131 0.032
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0131 0.2554
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0131 0.2554
Loa Loa (eye worm) nuclear factor I 0.0005 0.002 0.0032
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0131 0.3501
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0131 0.2554
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0126 0.0838
Echinococcus granulosus bloom syndrome protein 0.0022 0.0492 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0131 0.032
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0131 0.3501
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0131 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0126 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0131 0.3501
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3874 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1294 0.1114
Schistosoma mansoni smad1 5 8 and 0.001 0.0142 0.3806
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0131 0.032
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0416 1
Entamoeba histolytica recQ family helicase, putative 0.0012 0.0202 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0131 0.032
Loa Loa (eye worm) hypothetical protein 0.0113 0.3003 0.7747
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0142 0.0348
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0131 0.032
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0126 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0131 0.032
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0492 1
Schistosoma mansoni DNA helicase recq1 0.0009 0.0126 0.3357
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0492 0.1252
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0131 0.2554
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0131 0.032
Brugia malayi nuclear receptor NHR-88 0.0009 0.0131 0.032
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0126 0.0307
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0131 0.2554
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0131 0.032
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1294 0.1114
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0126 0.2448
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0131 0.3501
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0131 0.2554
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1294 0.1114
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3874 1
Echinococcus granulosus Smad4 0.001 0.0142 0.2776
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0126 0.2448
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0131 0.3501
Brugia malayi Smad1 0.001 0.0142 0.0348
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0131 0.2554
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0131 0.3501
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0131 0.032
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0131 0.2554
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0131 0.2554
Brugia malayi MH2 domain containing protein 0.001 0.0142 0.0348
Loa Loa (eye worm) hypothetical protein 0.0009 0.0131 0.032
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0131 0.032
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.1605 0.1432
Schistosoma mansoni coup transcription factor 0.0009 0.0131 0.3501
Mycobacterium ulcerans hypothetical protein 0.0192 0.5205 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0126 0.0838
Brugia malayi MH1 domain containing protein 0.001 0.0142 0.0348
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0131 0.032
Schistosoma mansoni Smad4 0.001 0.0142 0.3806
Loa Loa (eye worm) hypothetical protein 0.0009 0.0126 0.0307
Brugia malayi MH1 domain containing protein 0.0005 0.002 0.0032

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) 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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