Detailed information for compound 1272137
Basic information
Technical information
- TDR Targets ID: 1272137
- Name: N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-ben zothiophene-3-carboxamide
- MW: 261.339 | Formula: C14H15NO2S
-
H donors: 1
H acceptors: 1
LogP: 2.7
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1csc2c1CCCC2)NCc1ccco1
- InChi: 1S/C14H15NO2S/c16-14(15-8-10-4-3-7-17-10)12-9-18-13-6-2-1-5-11(12)13/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)
- InChiKey: QBHHZEKWCLFDFS-UHFFFAOYSA-N
Network
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Synonyms
- N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
- MLS000675367
- N-(2-furylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- SMR000293033
- IVK/9160300
- AK-968/40735067
- ZINC02764072
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | 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 |
|---|---|---|---|---|
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | musashi | 0.0033 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.1227 | 0.1227 |
| Echinococcus multilocularis | lamin | 0.0033 | 1 | 1 |
| Brugia malayi | cytoplasmic intermediate filament protein | 0.0017 | 0.2397 | 0.2397 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | cytoplasmic intermediate filament protein | 0.0016 | 0.1527 | 0.1527 |
| Echinococcus granulosus | cytoplasmic intermediate filament protein | 0.0016 | 0.1527 | 0.1527 |
| Onchocerca volvulus | 0.0033 | 1 | 1 | |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.2397 | 0.2397 |
| Onchocerca volvulus | 0.0033 | 1 | 1 | |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 1 | 1 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.1527 | 0.1527 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.1227 | 0.1227 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.97 | 0.97 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.3981 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 7.0795 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1383772
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.