Compound Detail
CHEMBL2349429
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COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL2349429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZYLCZULUZFCHF-YKTSSCPESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
-0.26
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.09 | 4.09 | 81970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 81970.0 | nM | 4.09 | Anti-neuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS... | 23462643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23462643 | 10.1016/j.bmcl.2013.01.115 | BV-2 | 2 |
Data from ChEMBL 36 via Core Engine