Compound Detail
CHEMBL4210029
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COc1c2c(c(O)c3c1C(=O)c1c(O)cccc1C3=O)-c1c(cc3c(c1O)C(=O)OC(C)(O)C3)CC2
Basic Information
| ChEMBL ID | CHEMBL4210029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYBHTJJOVGKNFS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
488.4
MW (Da)
2.77
ALogP
9
HBA
4
HBD
150.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 5.54 | 4.81 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 2900.0 | nM | 5.54 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 30178674 |
| No relevant target | EC50 | = | 83000.0 | nM | 4.08 | Antioxidant activity assessed as superoxide anion radical scavenging activity in... | 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