Compound Detail
CHEMBL4869207
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C=C[C@](C)(CCC/C(C)=C\C(=O)C=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4869207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFSVUCOHDCHMMG-QNPJPYSLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
1.40
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.01 | 4.01 | 97800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 97800.0 | nM | 4.01 | 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