Compound Detail
CHEMBL4848992
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C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)CC)CC(C)=C1C[C@@H]3O[C@]3(C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4848992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSXNNWOERGWLHT-GUPAJZSISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.94
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3000.0 | nM | 5.52 | 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