Compound Detail
CHEMBL1765882
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COC(=O)C1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1
Basic Information
| ChEMBL ID | CHEMBL1765882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZNIJRAPCCELQX-RDSLDKPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
-0.56
ALogP
9
HBA
5
HBD
153.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
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 |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 18500.0 | nM | 4.73 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 21341711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341711 | 10.1021/np1007476 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine