Compound Detail
CHEMBL5287442
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COc1cc(O)c(-c2cc3c(cc2O)CCc2cc(OC)cc(O)c2-3)c(CCc2cccc(O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5287442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBMLMLMDXBKLSM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.74
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.25 | 4.25 | 55900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 55900.0 | nM | 4.25 | Antioxidant activity assessed as DPPH radical scavenging activity | 29280630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29280630 | 10.1021/acs.jnatprod.7b00619 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine