Detailed information for compound 1297205

Basic information

Technical information
  • TDR Targets ID: 1297205
  • Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanes ulfonamide
  • MW: 228.268 | Formula: C9H12N2O3S
  • H donors: 0 H acceptors: 3 LogP: -0.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(S(=O)(=O)C)Cc1ccco1
  • InChi: 1S/C9H12N2O3S/c1-15(12,13)11(6-3-5-10)8-9-4-2-7-14-9/h2,4,7H,3,6,8H2,1H3
  • InChiKey: BWYKXLGSHSBKKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-cyanoethyl)-N-(2-furylmethyl)methanesulfonamide
  • ZINC02601096
  • BAS 06667827
  • TimTec1_003746
  • Oprea1_230096
  • A2769/0117351
  • N-(2-Cyano-ethyl)-N-furan-2-ylmethyl-methanesulfonamide
  • EU-0019733
  • MLS000715817
  • SMR000277334

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.3213 0.3781
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1473 1
Brugia malayi hypothetical protein 0.0106 0.4013 0.4622
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0626 0.0737
Loa Loa (eye worm) hypothetical protein 0.0032 0.0626 0.0721
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.3213 0.3781
Plasmodium vivax SET domain protein, putative 0.003 0.0521 0.3537
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0626 0.0737
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.1473 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0521 0.0613
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.2335 0.2689
Loa Loa (eye worm) hypothetical protein 0.0106 0.4013 0.4622
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.3213 0.37
Schistosoma mansoni hypothetical protein 0.0032 0.0626 0.0737
Brugia malayi hypothetical protein 0.0051 0.1473 0.1696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.3213 0.3781
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0626 0.0721
Schistosoma mansoni eyes absent homolog 0.0106 0.4013 0.4722
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.3213 0.3781
Schistosoma mansoni hypothetical protein 0.0205 0.8498 1
Brugia malayi Pre-SET motif family protein 0.003 0.0521 0.06
Loa Loa (eye worm) hypothetical protein 0.0106 0.4013 0.4622
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0521 0.0613
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8683 1
Schistosoma mansoni hypothetical protein 0.0032 0.0626 0.0737
Echinococcus granulosus geminin 0.0205 0.8498 1
Loa Loa (eye worm) hypothetical protein 0.007 0.2335 0.2689
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.1473 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1473 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0521 0.0613
Brugia malayi hypothetical protein 0.0033 0.0651 0.075
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0471 0.0554
Echinococcus multilocularis geminin 0.0205 0.8498 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0626 0.0721
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.1473 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0521 0.0613
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0626 0.0737
Leishmania major hypothetical protein, conserved 0.0051 0.1473 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0521 0.0613
Loa Loa (eye worm) hypothetical protein 0.0051 0.1473 0.1696
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.3807 0.4384
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.3807 0.4384
Schistosoma mansoni hypothetical protein 0.007 0.2335 0.2748
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1473 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0521 0.0613
Echinococcus multilocularis GPCR, family 2 0.0032 0.0626 0.0737
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0521 0.0613
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0194 0.0228
Loa Loa (eye worm) hypothetical protein 0.0102 0.3807 0.4384
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0194 0.0228
Schistosoma mansoni hypothetical protein 0.0205 0.8498 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0626 0.0737
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.3213 0.3781
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1473 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.3213 0.3781
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0626 0.0721
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0521 0.3537
Brugia malayi Pre-SET motif family protein 0.0209 0.8683 1
Echinococcus granulosus GPCR family 2 0.0032 0.0626 0.0737
Loa Loa (eye worm) hypothetical protein 0.003 0.0521 0.06
Schistosoma mansoni hypothetical protein 0.0032 0.0626 0.0737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.3213 0.3781
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.3807 0.4384
Schistosoma mansoni hypothetical protein 0.0032 0.0626 0.0737
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.3213 0.37
Schistosoma mansoni hypothetical protein 0.0023 0.0194 0.0228

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1158 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 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

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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