Detailed information for compound 819625
Basic information
Technical information
- TDR Targets ID: 819625
- Name: 4-(3-phenyl-1-benzofuran-2-yl)butan-2-one
- MW: 264.318 | Formula: C18H16O2
-
H donors: 0
H acceptors: 1
LogP: 3.9
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: CC(=O)CCc1oc2c(c1c1ccccc1)cccc2
- InChi: 1S/C18H16O2/c1-13(19)11-12-17-18(14-7-3-2-4-8-14)15-9-5-6-10-16(15)20-17/h2-10H,11-12H2,1H3
- InChiKey: FKLJGRSLWDZFSS-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-(3-phenylbenzofuran-2-yl)butan-2-one
- 4-(3-phenyl-2-benzofuranyl)butan-2-one
- BIM-0016185.P001
- ZINC00440638
- STOCK1S-06604
- 4-(3-Phenyl-benzofuran-2-yl)-butan-2-one
- MLS001030109
- SMR000425605
- CBMicro_016147
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | 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 |
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 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0535 | 0.0678 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.7897 | 0.7673 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.7897 | 0.8527 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.5463 | 0.4979 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9167 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.7897 | 0.8527 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9228 | 1 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7886 | 0.9985 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.5463 | 0.5833 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.7897 | 0.8527 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0535 | 0.0678 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3818 | 0.4014 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4163 | 0.4395 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.2617 | 0.183 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0535 | 0.0678 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.7897 | 0.7673 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.5463 | 0.5833 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.2617 | 0.2684 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.5463 | 0.4979 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9167 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0191 | 0.0241 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3391 | 0.3541 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.2617 | 0.3313 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.7897 | 0.7673 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3378 | 0.2673 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 15.8489 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] | ChEMBL. | No reference |
| Potency (binding) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 79.4328 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 for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1450257
- 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.