Detailed information for compound 718205
Basic information
Technical information
- TDR Targets ID: 718205
- Name: N-(6-bicyclo[2.2.1]heptanyl)-4-methylsulfanyl benzenesulfonamide
- MW: 297.436 | Formula: C14H19NO2S2
-
H donors: 1
H acceptors: 2
LogP: 3.14
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CSc1ccc(cc1)S(=O)(=O)NC1CC2CC1CC2
- InChi: 1S/C14H19NO2S2/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
- InChiKey: SGAMUWPYXPKUJP-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-methylsulfanyl-N-norbornan-2-yl-benzenesulfonamide
- 4-(methylthio)-N-(2-norbornanyl)benzenesulfonamide
- 4-(methylthio)-N-(2-norbornyl)benzenesulfonamide
- N-(6-bicyclo[2.2.1]heptanyl)-4-methylsulfanyl-benzenesulfonamide
- MLS001007943
- N-bicyclo[2.2.1]hept-2-yl-4-(methylthio)benzenesulfonamide
- SMR000498289
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Influenza A virus | Nonstructural protein 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
| Homo sapiens | K(lysine) acetyltransferase 2A | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 % |
| 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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.264 | 0.264 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.264 | 0.264 |
| Echinococcus granulosus | histone acetyltransferase KAT2B | 0.017 | 0.9633 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1423 | 0.1423 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1423 | 0.1423 |
| Echinococcus multilocularis | gcn5proteinral control of amino acid synthesis | 0.0175 | 1 | 1 |
| Plasmodium falciparum | histone acetyltransferase GCN5 | 0.0047 | 0.045 | 0.5 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.264 | 0.2109 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.264 | 0.264 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-A | 0.0051 | 0.0771 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.264 | 0.264 |
| Plasmodium vivax | histone acetyltransferase GCN5, putative | 0.0051 | 0.0771 | 0.5 |
| Toxoplasma gondii | histone lysine acetyltransferase GCN5-B | 0.0051 | 0.0771 | 0.5 |
| Loa Loa (eye worm) | acetyltransferase | 0.0175 | 1 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.264 | 0.264 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.264 | 0.264 |
| Entamoeba histolytica | acetyltransferase, GNAT family | 0.0047 | 0.045 | 0.5 |
| Schistosoma mansoni | gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 | 0.0175 | 1 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.264 | 0.264 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.264 | 0.264 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.264 | 0.264 |
| Trichomonas vaginalis | bromodomain-containing protein, putative | 0.0051 | 0.0771 | 0.5 |
| Trichomonas vaginalis | cat eye syndrome critical region protein 2, cscr2, putative | 0.0051 | 0.0771 | 0.5 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.264 | 0.264 |
| Giardia lamblia | Histone acetyltransferase GCN5 | 0.0047 | 0.045 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.264 | 0.264 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1423 | 0.1423 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1423 | 0.1423 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 2.5119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.8184 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 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) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 36.6257 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 |
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.
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: CHEMBL1326988
- 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.