Compound Detail
CHEMBL4567401
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C=CCc1cc(OC)c(O[C@@H](C)[C@@H](OC(C)=O)c2cc(OC)c3c(c2)OCO3)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL4567401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAIQSOUBJVWGJF-RCDICMHDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.24
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 23700.0 | nM | 4.62 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells incubated for 24... | 31642320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31642320 | 10.1021/acs.jnatprod.9b00520 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine