Compound Detail
CHEMBL4860522
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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL4860522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWVNKIJIVBIMSW-SXFAUFNYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
0.45
ALogP
10
HBA
5
HBD
176.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.03 | 4.03 | 92400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 92400.0 | nM | 4.03 | Inhibition of LPS induced NO production in mouse RAW264.7 cells measured after 2... | 33667099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33667099 | 10.1021/acs.jnatprod.0c01121 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine