Detailed information for compound 1357734

Basic information

Technical information
  • TDR Targets ID: 1357734
  • Name: 4-chloro-N-(furan-2-ylmethyl)-N-prop-2-enylbe nzenesulfonamide
  • MW: 311.784 | Formula: C14H14ClNO3S
  • H donors: 0 H acceptors: 2 LogP: 2.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccco1
  • InChi: 1S/C14H14ClNO3S/c1-2-9-16(11-13-4-3-10-19-13)20(17,18)14-7-5-12(15)6-8-14/h2-8,10H,1,9,11H2
  • InChiKey: GEYUTMPUHYDZQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-allyl-4-chloro-N-(2-furylmethyl)benzenesulfonamide
  • 4-chloro-N-(furan-2-ylmethyl)-N-prop-2-enyl-benzenesulfonamide
  • 12X-0937
  • ZINC04073083

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0169
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0169 0.0434
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2703 1 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.0499 0.0499
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2703 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0499 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0169
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2703 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1056 0.3883 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2703 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0169 0.0434
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0169 0.0169
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1056 0.3883 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.2703 1 0.5
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2703 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2703 1 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1056 0.3883 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0169 0.0434
Brugia malayi Zinc finger, C2H2 type family protein 0.1056 0.3883 0.3883
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2703 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1056 0.3883 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0169 0.338
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1056 0.3883 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1056 0.3883 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1056 0.3883 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0169 0.0434
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1056 0.3883 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2703 1 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2703 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0169 0.0169
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1056 0.3883 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0499 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2703 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1056 0.3883 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2703 1 1
Schistosoma mansoni dihydroorotate dehydrogenase 0.2703 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1056 0.3883 0.5
Leishmania major dihydroorotate dehydrogenase 0.2703 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 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) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

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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