Detailed information for compound 1357258

Basic information

Technical information
  • TDR Targets ID: 1357258
  • Name: 5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-s ulfonamide
  • MW: 293.813 | Formula: C9H8ClNO2S3
  • H donors: 1 H acceptors: 2 LogP: 3.07 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(s1)S(=O)(=O)NCc1cccs1
  • InChi: 1S/C9H8ClNO2S3/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h1-5,11H,6H2
  • InChiKey: MBIORAZRRQUUTQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-chloro-N-(2-thienylmethyl)thiophene-2-sulfonamide
  • 5-chloro-N-(2-thienylmethyl)-2-thiophenesulfonamide
  • IVK/0015556

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1197 1 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0467 0.3582 0.5
Leishmania major dihydroorotate dehydrogenase 0.1197 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0467 0.3582 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0467 0.3582 0.5
Plasmodium falciparum dihydroorotate dehydrogenase 0.1197 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0467 0.3582 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0467 0.3582 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1197 1 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.1197 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1197 1 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1197 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0467 0.3582 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0467 0.3582 1
Brugia malayi Zinc finger, C2H2 type family protein 0.0467 0.3582 0.3582
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1197 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0467 0.3582 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0467 0.3582 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0467 0.3582 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1197 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0467 0.3582 1
Loa Loa (eye worm) hypothetical protein 0.006 0 0.5
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1197 1 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1197 1 0.5
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1197 1 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1197 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1197 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2643 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) 7.3753 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 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) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.