Compound Detail
CHEMBL2431882
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C/C(=C\CC[C@](C)(O)[C@@H]1CC2=C(CC[C@@H](O)C2=O)O1)CC/C=C(\C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2431882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWYZXXJKVUAVGS-NQKOLOIPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.04
ALogP
5
HBA
3
HBD
104.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of LPS-induced NF-kappaB (unknown origin) activation transfected in m... | 24128115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24128115 | 10.1021/np4005757 | HL-60 | 1 |
| 24128115 | 10.1021/np4005757 | A549 | 1 |
| 24128115 | 10.1021/np4005757 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine