Compound Detail
CHEMBL499860
GEMICHALCONES C Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc(/C=C/C(=O)OC/C(C)=C\Cc2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL499860 |
| Name | GEMICHALCONES C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFKHJNZDWNKYOY-DBLNWHOKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
4.86
ALogP
9
HBA
5
HBD
153.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.62 | 4.52 | 23900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 23900.0 | nM | 4.62 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 16643064 |
| RAW264.7 | IC50 | = | 37600.0 | nM | 4.42 | Cytotoxicity against mouse RAW264.7 cells by MTT assay | 16643064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16643064 | 10.1021/np0600346 | RAW264.7 | 3 |
Data from ChEMBL 36 via Core Engine