Detailed information for compound 1441129
Basic information
Technical information
- TDR Targets ID: 1441129
- Name: 4-methyl-6-(phenylmethoxy)chromen-2-one
- MW: 266.291 | Formula: C17H14O3
-
H donors: 0
H acceptors: 1
LogP: 3.29
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: O=c1cc(C)c2c(o1)ccc(c2)OCc1ccccc1
- InChi: 1S/C17H14O3/c1-12-9-17(18)20-16-8-7-14(10-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChiKey: QYPOZUXIDCXIRL-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-methyl-6-(phenylmethoxy)-2-chromenone
- 6-(benzyloxy)-4-methyl-coumarin
- 6-(benzyloxy)-4-methyl-2H-chromen-2-one
- MLS001001401
- SMR000496892
- ZINC00449621
- Oprea1_624395
- CBMicro_045642
- BIM-0045536.P001
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 | 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
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | RNA binding protein | 0.0076 | 0.7897 | 0.7673 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3818 | 0.4014 |
| 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 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.7897 | 0.8527 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.7897 | 0.8527 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0535 | 0.0678 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9228 | 1 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2951 | 0.3737 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.7897 | 0.8527 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4163 | 0.4395 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| 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) | hypothetical protein | 0.0046 | 0.3391 | 0.3541 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.724 | 0.9167 |
| Echinococcus granulosus | fetal alzheimer antigen falz | 0.0027 | 0.0535 | 0.0678 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.7897 | 0.7673 |
| Schistosoma mansoni | hypothetical protein | 0.0025 | 0.0191 | 0.0241 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7886 | 0.9985 |
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3378 | 0.2673 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7897 | 1 |
| Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0027 | 0.0535 | 0.0678 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.7897 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.122 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 18.526 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) | 20.5878 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) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] | 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 |
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: CHEMBL1605264
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.