Compound Detail
CHEMBL3916405
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3916405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKLWTTVTWMTNBP-KYXYLJOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
-1.02
ALogP
9
HBA
5
HBD
155.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 18700.0 | nM | 4.73 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 34658231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27623545 | 10.1016/j.bmcl.2016.08.094 | NON-PROTEIN TARGET | 5 |
| 34658231 | 10.1021/acs.jnatprod.1c00585 | RAW264.7 | 2 |
| 32118424 | 10.1021/acs.jnatprod.9b01120 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine