Detailed information for compound 1360627
Basic information
Technical information
- TDR Targets ID: 1360627
- Name: N-cyclohexyl-2-(3-oxo-1H-2-benzofuran-1-yl)ac etamide
- MW: 273.327 | Formula: C16H19NO3
-
H donors: 1
H acceptors: 2
LogP: 2.44
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(CC1OC(=O)c2c1cccc2)NC1CCCCC1
- InChi: 1S/C16H19NO3/c18-15(17-11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)20-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,18)
- InChiKey: QRHSSMNNHRFKTN-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-cyclohexyl-2-(3-oxo-1H-isobenzofuran-1-yl)acetamide
- N-cyclohexyl-2-(3-keto-1H-isobenzofuran-1-yl)acetamide
- N-cyclohexyl-2-(3-oxo-1H-2-benzofuran-1-yl)ethanamide
- MLS000081317
- SMR000045803
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | 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 |
|---|---|---|---|---|---|
| Giardia lamblia | U5 small nuclear ribonucleoprotein 200 kDa helicase, putative | RecQ helicase-like | 649 aa | 521 aa | 19.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0024 | 0.5856 | 0.5856 |
| Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.5856 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0024 | 0.5856 | 0.5856 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.5856 | 0.5 |
| Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0024 | 0.5856 | 0.4877 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.5856 | 1 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0024 | 0.5856 | 0.5 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.5856 | 0.5 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0024 | 0.5856 | 0.4877 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0223 | 0.0000000048454 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.1625 | 0.1434 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.5856 | 0.4291 |
| Entamoeba histolytica | recQ family DNA helicase | 0.0012 | 0.0223 | 0.0381 |
| Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0024 | 0.5856 | 0.4877 |
| Loa Loa (eye worm) | RecQ helicase | 0.0024 | 0.5856 | 0.5761 |
| Echinococcus granulosus | bloom syndrome protein | 0.0024 | 0.5856 | 0.4877 |
| Echinococcus multilocularis | musashi | 0.0033 | 1 | 1 |
| Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0024 | 0.5856 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.9714 | 0.9707 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0024 | 0.5856 | 0.5 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0024 | 0.5856 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.5856 | 0.4291 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0024 | 0.5856 | 0.4877 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.5856 | 0.5761 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.1911 | 0.1727 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0024 | 0.5856 | 0.5761 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0024 | 0.5856 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 1 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.5856 | 1 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.2742 | 0.2576 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0015 | 0.1625 | 0.1434 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0012 | 0.0223 | 1 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.5856 | 0.5 |
| Treponema pallidum | ATP-dependent DNA helicase | 0.0012 | 0.0223 | 0.5 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 1 | 1 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0223 | 0.0381 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0024 | 0.5856 | 0.4291 |
| Echinococcus multilocularis | lamin | 0.0033 | 1 | 1 |
| Schistosoma mansoni | blooms syndrome DNA helicase | 0.0012 | 0.0223 | 0.0223 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0024 | 0.5856 | 0.4877 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.5856 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.0329 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) | = 0.1995 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No 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) | 12.5893 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) | = 56.2341 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | ||
| Homo sapiens | 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: CHEMBL1479937
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.