Compound Detail
CHEMBL4792118
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CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c(/C=C/C(=O)c3ccc(O)c(O)c3)c1O)OC(C)(C)C=C2
Basic Information
| ChEMBL ID | CHEMBL4792118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBUDFNLTNQWPTF-MZBMRJSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
6.82
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.14
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells | 32208222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine