Detailed information for compound 1876486
Basic information
Technical information
- Name: Unnamed compound
- MW: 305.415 | Formula: C15H15NO2S2
-
H donors: 0
H acceptors: 2
LogP: 4.09
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CS/C(=N/S(=O)(=O)c1ccc(cc1)C)/c1ccccc1
- InChi: 1S/C15H15NO2S2/c1-12-8-10-14(11-9-12)20(17,18)16-15(19-2)13-6-4-3-5-7-13/h3-11H,1-2H3/b16-15+
- InChiKey: RIAJWEVFEKTNJU-FOCLMDBBSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0157 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0157 | 0.5 |
| Onchocerca volvulus | 0.0033 | 0.0098 | 0.5 | |
| Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0157 | 0.4494 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.0098 | 0.3136 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.0095 | 0.3034 |
| Echinococcus granulosus | lamin | 0.0033 | 0.0098 | 0.3136 |
| Echinococcus multilocularis | cytoplasmic intermediate filament protein | 0.0016 | 0.0007 | 0.0237 |
| Schistosoma mansoni | lamin | 0.0033 | 0.0098 | 0.2814 |
| Echinococcus granulosus | cytoplasmic intermediate filament protein | 0.0016 | 0.0007 | 0.0237 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.0098 | 0.3136 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0004 | 0.0135 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0157 | 0.5 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.0098 | 0.3136 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0079 | 0.0349 | 1 |
| Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0068 | 0.0287 | 1 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0021 | 0.0036 | 0.1028 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0157 | 0.4494 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0021 | 0.0036 | 0.1028 |
| Trichomonas vaginalis | voltage and ligand gated potassium channel, putative | 0.0068 | 0.0287 | 1 |
| Brugia malayi | Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog | 0.0021 | 0.0036 | 0.1145 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0017 | 0.0535 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.0098 | 0.3136 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.0098 | 0.3136 |
| Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0021 | 0.0036 | 0.1145 |
| Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.0017 | 0.0535 |
| Brugia malayi | hypothetical protein | 0.0043 | 0.0157 | 0.5008 |
| Brugia malayi | Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog | 0.0072 | 0.0313 | 1 |
| Mycobacterium tuberculosis | Probable histidinol dehydrogenase HisD (HDH) | 0.187 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0021 | 0.0036 | 0.1145 |
| Mycobacterium ulcerans | histidinol dehydrogenase | 0.187 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.0098 | 0.3136 |
| Onchocerca volvulus | 0.0033 | 0.0098 | 0.5 | |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.0098 | 0.2814 |
| Echinococcus multilocularis | potassium voltage gated channel subfamily H | 0.0072 | 0.0313 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.0262 | 0.8354 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0157 | 0.5008 |
| Loa Loa (eye worm) | voltage and ligand gated potassium channel | 0.0072 | 0.0313 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0007 | 0.0237 |
| Schistosoma mansoni | lamin | 0.0033 | 0.0098 | 0.2814 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.0098 | 0.3136 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0098 | 0.3136 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.0079 | 0.0349 | 1 |
| Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0021 | 0.0036 | 0.1145 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.0098 | 0.3136 |
| Echinococcus granulosus | potassium voltage gated channel subfamily H | 0.0072 | 0.0313 | 1 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0157 | 0.5008 |
| Echinococcus multilocularis | voltage gated potassium channel | 0.0021 | 0.0036 | 0.1145 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.0098 | 0.3136 |
| Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0157 | 0.5 |
| Echinococcus granulosus | voltage gated potassium channel | 0.0021 | 0.0036 | 0.1145 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.0004 | 0.0135 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 10.3225 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) | 10.4179 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) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.9349 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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: CHEMBL3197119
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.