Compound Detail
CHEMBL320295
O,O'-DIMETHYLCAFFEIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL320295 |
| Name | O,O'-DIMETHYLCAFFEIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJBWJAPEBGSQPR-GQCTYLIASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
1.80
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 240.0 | nM | 6.62 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 21388814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22096083 | 10.1124/dmd.111.041665 | ADMET | 5 |
| 22925447 | 10.1016/j.bmc.2012.07.043 | U-937 | 3 |
| 25847765 | 10.1016/j.ejmech.2015.03.056 | Hepatitis B virus | 3 |
| 25847765 | 10.1016/j.ejmech.2015.03.056 | Unchecked | 3 |
| - | 10.1039/C5MD00018A | No relevant target | 3 |
| 10096863 | 10.1021/np9801559 | NON-PROTEIN TARGET | 3 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | NON-PROTEIN TARGET | 2 |
| 23682762 | 10.1021/jm400374q | Unchecked | 2 |
| 27189886 | 10.1016/j.bmc.2016.05.003 | Staphylococcus aureus | 2 |
| 27189886 | 10.1016/j.bmc.2016.05.003 | Enterococcus faecalis | 2 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | Unchecked | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 12027739 | 10.1021/np010486c | NON-PROTEIN TARGET | 2 |
| 26595184 | 10.1016/j.ejmech.2015.11.003 | A549 | 2 |
| 15780639 | 10.1016/j.bmcl.2005.01.070 | Mus musculus | 2 |
| 21041094 | 10.1016/j.bmc.2010.10.012 | No relevant target | 1 |
| 12951092 | 10.1016/s0960-894x(03)00710-8 | RBL-2H3 | 1 |
| 38150963 | 10.1016/j.ejmech.2023.116075 | Alpha-synuclein | 1 |
| 20307087 | 10.1021/np900772m | PANC-1 | 1 |
| 12027739 | 10.1021/np010486c | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine