Detailed information for compound 880347
Basic information
Technical information
- TDR Targets ID: 880347
- Name: N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamid e
- MW: 299.366 | Formula: C12H13NO4S2
-
H donors: 1
H acceptors: 2
LogP: 2.4
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(OC)ccc1NS(=O)(=O)c1cccs1
- InChi: 1S/C12H13NO4S2/c1-16-9-5-6-10(11(8-9)17-2)13-19(14,15)12-4-3-7-18-12/h3-8,13H,1-2H3
- InChiKey: DJUPYYONGFLTBS-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(2,4-dimethoxyphenyl)-2-thiophenesulfonamide
- 6031-89-6
- EU-0090133
- CBMicro_012112
- ZINC00241820
- MLS000109494
- T0517-5329
- BAS 01358758
- Thiophene-2-sulfonic acid (2,4-dimethoxy-phenyl)-amide
- SMR000105437
- BIM-0012125.P001
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | GNAS complex locus | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Homo sapiens | SMAD family member 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0056 | 0.0056 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0021 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.258 | 0.4108 | 0.8766 |
| Echinococcus granulosus | sterol regulatory element binding protein | 0.258 | 0.4108 | 0.4108 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0073 | 0.0073 |
| Brugia malayi | CHE-14 protein | 0.258 | 0.4108 | 0.4108 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0056 | 1 |
| Echinococcus multilocularis | Niemann Pick C1 protein | 0.258 | 0.4108 | 0.4108 |
| Loa Loa (eye worm) | transcription factor SMAD2 | 0.0144 | 0.0215 | 0.0215 |
| Giardia lamblia | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 0.294 | 0.4683 | 1 |
| Echinococcus multilocularis | protein dispatched 1 | 0.258 | 0.4108 | 0.4108 |
| Leishmania major | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.6267 | 1 | 1 |
| Schistosoma mansoni | patched 1 | 0.258 | 0.4108 | 0.4108 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0021 | 0.0021 |
| Mycobacterium ulcerans | hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase | 0.6267 | 1 | 1 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0056 | 0.0056 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0056 | 0.0075 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase | 0.6267 | 1 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0056 | 0.0035 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.0056 | 0.0035 |
| Echinococcus multilocularis | sterol regulatory element binding protein | 0.258 | 0.4108 | 0.4108 |
| Echinococcus granulosus | Protein patched homolog 1 | 0.258 | 0.4108 | 0.4108 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.294 | 0.4683 | 1 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0048 | 0.5 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0073 | 0.0073 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0021 | 0.0021 |
| Trypanosoma brucei | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.6267 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.6267 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0073 | 0.0073 |
| Trypanosoma cruzi | 3-hydroxy-3-methylglutaryl-CoA reductase, putative | 0.6267 | 1 | 1 |
| Schistosoma mansoni | niemann-pick C1 (NPC1) | 0.258 | 0.4108 | 0.4108 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.0073 | 0.0073 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0056 | 0.0035 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.294 | 0.4683 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.258 | 0.4108 | 0.4108 |
| Loa Loa (eye worm) | abnormal chemotaxis protein 14 | 0.258 | 0.4108 | 0.4108 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0021 | 0.0021 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0021 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0056 | 0.0056 |
| Loa Loa (eye worm) | MH2 domain-containing protein | 0.0144 | 0.0215 | 0.0215 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.0056 | 0.0075 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.0073 | 0.0073 |
| Echinococcus granulosus | hydroxymethylglutaryl coenzyme A reductase | 0.6267 | 1 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0056 | 0.0035 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0021 | 0.0021 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0021 | 0.0021 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0056 | 0.0035 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0056 | 0.0056 |
| Brugia malayi | MH2 domain containing protein | 0.0144 | 0.0215 | 0.0215 |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.0021 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.0073 | 0.0073 |
| Trichomonas vaginalis | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative | 0.294 | 0.4683 | 1 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0056 | 1 |
| Schistosoma mansoni | hydroxymethylglutaryl-CoA reductase (NADPH) | 0.6267 | 1 | 1 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0056 | 0.0056 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0056 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0073 | 0.0073 |
| Echinococcus multilocularis | hydroxymethylglutaryl coenzyme A reductase | 0.6267 | 1 | 1 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0048 | 1 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.0073 | 0.0073 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.0056 | 0.0075 |
| Echinococcus granulosus | Niemann Pick C1 protein | 0.258 | 0.4108 | 0.4108 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.0073 | 0.0073 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0056 | 0.0056 |
| Echinococcus multilocularis | protein patched | 0.258 | 0.4108 | 0.4108 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0021 | 0.0021 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0631 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | 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) | 11.2202 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) | 20.7865 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) | 28.1838 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | 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
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.
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
- ChEMBL: CHEMBL1413227
- Search by Saint Jude
- Search by Saint Jude
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.