Detailed information for compound 1417589

Basic information

Technical information
  • TDR Targets ID: 1417589
  • Name: 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-7-yl)t hiophene-2-sulfonamide
  • MW: 376.246 | Formula: C12H10BrNO4S2
  • H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(s1)S(=O)(=O)Nc1ccc2c(c1)OCCO2
  • InChi: 1S/C12H10BrNO4S2/c13-11-3-4-12(19-11)20(15,16)14-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7,14H,5-6H2
  • InChiKey: YHLDYPWYBULXKO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-thiophenesulfonamide
  • MLS000048255
  • MLS000116212
  • SMR000073571
  • 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
  • ZINC01119625
  • STOCK4S-18542

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) MH1 domain-containing protein 0.0031 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0018 0.0029 0.0029
Brugia malayi mothers against decapentaplegic homolog 3 0.0031 0.0154 0.0154
Onchocerca volvulus 0.0292 0.2809 0.7845
Echinococcus multilocularis tar DNA binding protein 0.0382 0.3712 1
Echinococcus granulosus tar DNA binding protein 0.0382 0.3712 1
Schistosoma mansoni Smad4 0.0068 0.0537 0.1022
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0029 0.0077
Brugia malayi Calcitonin receptor-like protein seb-1 0.0457 0.4472 0.4472
Brugia malayi N-terminal motif family protein 0.0368 0.3574 0.3574
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3712 0.7066
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Brugia malayi glutaminase DH11.1 0.0534 0.5253 0.5253
Schistosoma mansoni survival motor neuron protein 0.0058 0.0435 0.0829
Echinococcus granulosus mothers against decapentaplegic 5 0.0068 0.0537 0.1446
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0144 0.1309 0.1309
Schistosoma mansoni hypothetical protein 0.0144 0.1309 0.2492
Onchocerca volvulus Huntingtin homolog 0.0148 0.1344 0.3712
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3712 0.7066
Schistosoma mansoni hypothetical protein 0.0144 0.1309 0.2492
Brugia malayi MH2 domain containing protein 0.0031 0.0154 0.0154
Schistosoma mansoni smad 0.0031 0.0154 0.0294
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0068 0.0537 0.1446
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0029 0.0029
Trichomonas vaginalis glutaminase, putative 0.0534 0.5253 0.5
Brugia malayi MH2 domain containing protein 0.0068 0.0537 0.0537
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0457 0.4472 0.4472
Loa Loa (eye worm) hypothetical protein 0.0148 0.1344 0.1344
Loa Loa (eye worm) hypothetical protein 0.0292 0.2809 0.2809
Mycobacterium ulcerans glutaminase 0.0534 0.5253 0.5
Brugia malayi hypothetical protein 0.0286 0.2739 0.2739
Brugia malayi RNA recognition motif domain containing protein 0.0382 0.3712 0.3712
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0029 0.0077
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0068 0.0537 0.1022
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0029 0.0029
Brugia malayi hypothetical protein 0.0088 0.0736 0.0736
Echinococcus granulosus TGF beta signal transducer SmadC 0.0068 0.0537 0.1446
Brugia malayi MH1 domain containing protein 0.0068 0.0537 0.0537
Brugia malayi Smad1 0.0068 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0312 0.3008 0.3008
Brugia malayi hypothetical protein 0.0018 0.0029 0.0029
Schistosoma mansoni dishevelled 0.0018 0.0029 0.0054
Schistosoma mansoni dishevelled 0.0018 0.0029 0.0054
Brugia malayi hypothetical protein 0.0018 0.0029 0.0029
Schistosoma mansoni dep domain containing protein 0.0018 0.0029 0.0054
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0 0.5
Echinococcus multilocularis Smad4 0.0068 0.0537 0.1446
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0088 0.0736 0.0736
Loa Loa (eye worm) hypothetical protein 0.0038 0.0228 0.0228
Loa Loa (eye worm) Smad1 0.0068 0.0537 0.0537
Echinococcus multilocularis mothers against decapentaplegic 6 0.0031 0.0154 0.0416
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0368 0.3574 1
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0029 0.0077
Brugia malayi hypothetical protein 0.0292 0.2809 0.2809
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0144 0.1309 0.3526
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0029 0.0077
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0029 0.0029
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0 0.5
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0029 0.0077
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0029 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.1002 1 1
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0029 0.0077
Brugia malayi TAR-binding protein 0.0382 0.3712 0.3712
Loa Loa (eye worm) hypothetical protein 0.0286 0.2739 0.2739
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0029 0.0077
Toxoplasma gondii hypothetical protein 0.0018 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1344 0.1344
Brugia malayi latrophilin 2 splice variant baaae 0.0312 0.3008 0.3008
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0029 0.0077
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0382 0.3712 0.3712
Echinococcus multilocularis smad 0.0068 0.0537 0.1446
Brugia malayi Latrophilin receptor protein 2 0.0144 0.1309 0.1309
Loa Loa (eye worm) TAR-binding protein 0.0382 0.3712 0.3712
Echinococcus granulosus mothers against decapentaplegic 6 0.0031 0.0154 0.0416
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3712 0.7066
Brugia malayi MH1 domain containing protein 0.0038 0.0228 0.0228
Echinococcus multilocularis mothers against decapentaplegic 5 0.0068 0.0537 0.1446
Echinococcus multilocularis GPCR, family 2 0.0144 0.1309 0.3526
Loa Loa (eye worm) glutaminase 2 0.0534 0.5253 0.5253
Loa Loa (eye worm) RNA binding protein 0.0382 0.3712 0.3712
Loa Loa (eye worm) MH2 domain-containing protein 0.1002 1 1
Schistosoma mansoni eyes absent homolog 0.0088 0.0736 0.1402
Echinococcus granulosus GPCR family 2 0.0144 0.1309 0.3526
Brugia malayi MH1 domain containing protein 0.0038 0.0228 0.0228
Echinococcus granulosus Smad4 0.0068 0.0537 0.1446
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0029 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3712 0.7066
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0029 0.0077
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0382 0.3712 0.7066
Loa Loa (eye worm) hypothetical protein 0.0088 0.0736 0.0736
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2739 0.7379
Schistosoma mansoni smad1 5 8 and 0.0068 0.0537 0.1022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0457 0.4472 0.4472
Brugia malayi MH1 domain containing protein 0.0068 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0368 0.3574 0.3574
Brugia malayi RNA binding protein 0.0382 0.3712 0.3712
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0144 0.1309 0.3526
Schistosoma mansoni hypothetical protein 0.0144 0.1309 0.2492
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0029 0.0054
Schistosoma mansoni glutaminase 0.0534 0.5253 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0031 0.0154 0.0355
Schistosoma mansoni hypothetical protein 0.0312 0.3008 0.5726
Loa Loa (eye worm) hypothetical protein 0.0018 0.0029 0.0029
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0144 0.1309 0.3526
Brugia malayi MH2 domain containing protein 0.0068 0.0537 0.0537
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0435 0.0435
Echinococcus granulosus mothers against decapentaplegic 2 0.0031 0.0154 0.0416
Echinococcus granulosus smad 0.0068 0.0537 0.1446
Schistosoma mansoni hypothetical protein 0.0144 0.1309 0.2492
Schistosoma mansoni Smad4 0.0031 0.0154 0.0294
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.0537 0.0537
Brugia malayi hypothetical protein 0.0148 0.1344 0.1344
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0144 0.1309 0.3526
Loa Loa (eye worm) glutaminase 0.0534 0.5253 0.5253
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0457 0.4472 0.4472
Loa Loa (eye worm) nuclear factor I 0.0038 0.0228 0.0228
Brugia malayi DIX domain containing protein 0.0018 0.0029 0.0029
Onchocerca volvulus Huntingtin homolog 0.0148 0.1344 0.3712
Schistosoma mansoni smad 0.0068 0.0537 0.1022
Loa Loa (eye worm) MH2 domain-containing protein 0.0031 0.0154 0.0154
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2739 0.7379
Loa Loa (eye worm) hypothetical protein 0.0031 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.0058 0.0435 0.0829
Loa Loa (eye worm) latrophilin receptor protein 2 0.0144 0.1309 0.1309
Loa Loa (eye worm) hypothetical protein 0.0144 0.1309 0.1309
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0029 0.0077
Schistosoma mansoni Smad4 0.0031 0.0154 0.0294
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0 0.5
Echinococcus multilocularis mothers against decapentaplegic 2 0.0031 0.0154 0.0416
Schistosoma mansoni smad1 5 8 and 0.0068 0.0537 0.1022
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0029 0.0029
Schistosoma mansoni smad1 5 8 and 0.0068 0.0537 0.1022
Onchocerca volvulus 0.0058 0.0435 0.1148

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 22.3872 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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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