Compound Detail
CHEMBL3929895
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COc1cc(/C=C/C(=O)/C(Cc2ccccc2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3929895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJYZAPXSNAXKPO-BTABOOAISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
5.47
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 5300.0 | nM | 5.28 | Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the A... | - |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 7600.0 | nM | 5.12 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
Data from ChEMBL 36 via Core Engine