Compound Detail
CHEMBL5080810
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)c2c(O)cc(OC)c(C(CCC(=O)O)c3c(OC)cc(O)c(C(=O)c4c(C)cc(OC)cc4OC)c3O)c2O)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5080810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRUJKCLDVIGZPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
720.7
MW (Da)
5.64
ALogP
13
HBA
5
HBD
207.7
PSA (Ų)
0.09
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 15600.0 | nM | 4.81 | Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS... | 35007071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35007071 | 10.1021/acs.jnatprod.1c00900 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine