Compound Detail
CHEMBL1761710
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COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL1761710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDVZKBOFCHOPLM-DEYYWGMASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
2.04
ALogP
8
HBA
4
HBD
117.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.26 | 4.26 | 55500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 55500.0 | nM | 4.26 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells preinc... | 21435874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21435874 | 10.1016/j.bmcl.2011.02.102 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine