Compound Detail
CHEMBL2336739
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O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2336739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFZAQSKKPHEVOT-UMHPNHICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
1.32
ALogP
10
HBA
6
HBD
191.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.24 | 4.24 | 57400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 57400.0 | nM | 4.24 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 23356964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23356964 | 10.1021/np300609u | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine