Compound Detail
CHEMBL331568
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CCOC(=O)C[C@@]1(C)C(=O)CC[C@@]2(C)c3cc(OC(C)=O)c(OC(C)=O)cc3CC[C@H]12
Basic Information
| ChEMBL ID | CHEMBL331568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYGKNVZCOVWPHH-NKKJXINNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
3.68
ALogP
7
HBA
0
HBD
96.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity against LPS-stimulated IL-1 beta release from human monocyte... | 9934491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9934491 | 10.1016/s0960-894x(98)00671-4 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine