Compound Detail
CHEMBL500762
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CC1=CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)CC1
Basic Information
| ChEMBL ID | CHEMBL500762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPXRVNRKZYBYHR-CRIMJPFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.6
MW (Da)
-0.23
ALogP
14
HBA
8
HBD
225.1
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 11600.0 | nM | 4.94 | DPPH radical scavenging activity after 180 mins | 18314960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314960 | 10.1021/np0705615 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine