Detailed information for compound 1499009
Basic information
Technical information
- TDR Targets ID: 1499009
- Name: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptany l)-N-[[4-(trifluoromethyl)phenyl]methyl]metha nesulfonamide
- MW: 389.432 | Formula: C18H22F3NO3S
-
H donors: 1
H acceptors: 3
LogP: 3.14
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1CC2C(C1(CC2)CS(=O)(=O)NCc1ccc(cc1)C(F)(F)F)(C)C
- InChi: 1S/C18H22F3NO3S/c1-16(2)14-7-8-17(16,15(23)9-14)11-26(24,25)22-10-12-3-5-13(6-4-12)18(19,20)21/h3-6,14,22H,7-11H2,1-2H3
- InChiKey: SEHQQNBIOCOQDG-UHFFFAOYSA-N
Network
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Synonyms
- 1-(7,7-dimethyl-2-oxo-norbornan-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
- 1-(7,7-dimethyl-2-oxo-1-norbornanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
- 1-(2-keto-7,7-dimethyl-norbornan-1-yl)-N-[4-(trifluoromethyl)benzyl]methanesulfonamide
- SEW 04403
- SR-01000640056-1
- Maybridge1_007582
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 | nuclear factor, erythroid 2-like 2 | 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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Toxoplasma gondii | 3-oxo-5-alpha-steroid 4-dehydrogenase | 0.0101 | 1 | 0.5 |
| Echinococcus granulosus | synaptic glycoprotein sc2 | 0.0101 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.2711 | 0.2711 |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 1 | 1 |
| Echinococcus multilocularis | 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal | 0.0101 | 1 | 1 |
| Toxoplasma gondii | 3-oxo-5-alpha-steroid 4-dehydrogenase | 0.0101 | 1 | 0.5 |
| Plasmodium vivax | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Onchocerca volvulus | 0.0101 | 1 | 0.5 | |
| Entamoeba histolytica | trans-2,3-enoyl-CoA reductase, putative | 0.0101 | 1 | 1 |
| Schistosoma mansoni | synaptic glycoprotein sc2 related | 0.0101 | 1 | 1 |
| Schistosoma mansoni | synaptic glycoprotein sc2 related | 0.0101 | 1 | 1 |
| Entamoeba histolytica | steroid 5-alpha reductase, putative | 0.0101 | 1 | 1 |
| Leishmania major | 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein | 0.0101 | 1 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.5047 | 0.5047 |
| Brugia malayi | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 0.0101 | 1 | 1 |
| Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.5047 | 0.5047 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.2992 | 0.2992 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.2992 | 0.2992 |
| Plasmodium falciparum | polyprenol reductase, putative | 0.0101 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.2992 | 0.2992 |
| Mycobacterium ulcerans | hypothetical protein | 0.0101 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.2711 | 0.2711 |
| Entamoeba histolytica | 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein | 0.0101 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.5047 | 0.5047 |
| Giardia lamblia | Synaptic glycoprotein SC2 | 0.0101 | 1 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.2711 | 0.2711 |
| Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Toxoplasma gondii | 3-oxo-5-alpha-steroid 4-dehydrogenase | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Echinococcus granulosus | 3 oxo 5 alpha steroid 4 dehydrogenase C terminal | 0.0101 | 1 | 1 |
| Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Trypanosoma brucei | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | synaptic glycoprotein sc2, putative | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | synaptic glycoprotein sc2, putative | 0.0101 | 1 | 0.5 |
| Trypanosoma brucei | 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative | 0.0101 | 1 | 0.5 |
| Echinococcus multilocularis | synaptic glycoprotein sc2 | 0.0101 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0101 | 1 | 1 |
| Trypanosoma cruzi | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.5047 | 0.5047 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.2992 | 0.2992 |
| Trichomonas vaginalis | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Plasmodium vivax | polyprenol reductase, putative | 0.0101 | 1 | 0.5 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.2992 | 0.2992 |
| Loa Loa (eye worm) | hypothetical protein | 0.0101 | 1 | 1 |
| Plasmodium falciparum | 3-oxo-5-alpha-steroid 4-dehydrogenase, putative | 0.0101 | 1 | 0.5 |
| Trichomonas vaginalis | synaptic glycoprotein sc2, putative | 0.0101 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 5.6234 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.8048 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 23.1093 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) | 29.081 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 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 |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | 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: CHEMBL1718465
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.