Compound Detail
CHEMBL4210302
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
CCC(=O)O[C@@H]1Cc2cc3c(c(O)c2-c2c(O)c4c(c(OC)c21)C(=O)c1c(O)cccc1C4=O)C(=O)O[C@H](C)C3
Basic Information
| ChEMBL ID | CHEMBL4210302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKYMKELYWCSLHP-BDJLRTHQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.5
MW (Da)
3.91
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 30000.0 | nM | 4.52 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 30178674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30178674 | 10.1021/acs.jnatprod.8b00397 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine