Compound Detail
CHEMBL1797794
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Basic Information
| ChEMBL ID | CHEMBL1797794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPDFPJQWQLJNLM-VUSYVUDMSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.24
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
EC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.17 | 5.17 | 6700.0 | 2 |
| Radical scavenging activity CHEMBL613712 | EC50 | 4.63 | 4.63 | 23200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 6000.0 | nM | 5.22 | Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the A... | - |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 6700.0 | nM | 5.17 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 6700.0 | nM | 5.17 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
| Radical scavenging activity | EC50 | = | 23200.0 | nM | 4.63 | Antioxidant activity assessed as DPPH radical scavenging activity | 21601463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21601463 | 10.1016/j.bmc.2011.04.055 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine